Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 9927975 | 4125 | 0 | None | 10 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 341 | 3 | 0 | 5 | 3.5 | C(#Cc1ccccc1)CSc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL100147 | 4125 | 0 | None | 10 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 341 | 3 | 0 | 5 | 3.5 | C(#Cc1ccccc1)CSc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 24967746 | 15879 | 0 | None | 31 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223754 | 15879 | 0 | None | 31 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42599070 | 15902 | 0 | None | 50 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223804 | 15902 | 0 | None | 50 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 44330081 | 206422 | 0 | None | 17 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL98255 | 206422 | 0 | None | 17 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 42598591 | 15901 | 0 | None | 39 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223803 | 15901 | 0 | None | 39 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 118724611 | 115961 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 373 | 3 | 1 | 5 | 3.4 | Cn1cc(-c2ccc(Cn3cc4c(=O)[nH]nc-4c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360954 | 115961 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 373 | 3 | 1 | 5 | 3.4 | Cn1cc(-c2ccc(Cn3cc4c(=O)[nH]nc-4c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2014.11.011 | ||
| 25110765 | 186435 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 4.1 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL490797 | 186435 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 4.1 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 46871844 | 6734 | 0 | None | 50 | 5 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083925 | 6734 | 0 | None | 50 | 5 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 25110764 | 192469 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 4.1 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL522451 | 192469 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 4.1 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 44329977 | 110922 | 0 | None | 10 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL327269 | 110922 | 0 | None | 10 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 46890906 | 6964 | 0 | None | 1 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 329 | 5 | 2 | 2 | 4.8 | OC(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1084850 | 6964 | 0 | None | 1 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 329 | 5 | 2 | 2 | 4.8 | OC(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 42598358 | 15926 | 0 | None | 50 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223860 | 15926 | 0 | None | 50 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 44351242 | 117557 | 0 | None | 5 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| CHEMBL340435 | 117557 | 0 | None | 5 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| 44330074 | 106723 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 341 | 3 | 0 | 5 | 3.5 | C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL316625 | 106723 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 341 | 3 | 0 | 5 | 3.5 | C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 44579457 | 186279 | 0 | None | 2570 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 4.8 | O=c1[nH]c2cc(F)ccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL489576 | 186279 | 0 | None | 2570 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 4.8 | O=c1[nH]c2cc(F)ccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 44579418 | 186399 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 4.1 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL490598 | 186399 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 4.1 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 187 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 294 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 65 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 8593 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL667 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| DB03128 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 187 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 294 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 65 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 8593 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| CHEMBL667 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| DB03128 | 253 | 34 | None | -10 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 9883040 | 100071 | 0 | None | 3 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL291339 | 100071 | 0 | None | 3 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL542622 | 100071 | 0 | None | 3 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 68153829 | 115962 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | O=c1[nH]nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc1-2 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360955 | 115962 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 341 | 3 | 1 | 5 | 3.1 | O=c1[nH]nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc1-2 | 10.1016/j.bmcl.2014.11.011 | ||
| 42598828 | 15927 | 0 | None | 125 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223861 | 15927 | 0 | None | 125 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 302 | 2929 | 23 | None | -3 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/j.bmcl.2015.02.012 | ||
| 4630 | 2929 | 23 | None | -3 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/j.bmcl.2015.02.012 | ||
| CHEMBL7634 | 2929 | 23 | None | -3 | 8 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/j.bmcl.2015.02.012 | ||
| 3652 | 4034 | 72 | None | -21 | 9 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 57 | 4034 | 72 | None | -21 | 9 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 60809 | 4034 | 72 | None | -21 | 9 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| CHEMBL21536 | 4034 | 72 | None | -21 | 9 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| DB15357 | 4034 | 72 | None | -21 | 9 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 44579419 | 192084 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 4.8 | O=c1[nH]c2c(F)cccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL521914 | 192084 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 4.8 | O=c1[nH]c2c(F)cccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 24751745 | 198173 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(F)c32)cc1 | 10.1021/jm400540b | ||
| CHEMBL594432 | 198173 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(F)c32)cc1 | 10.1021/jm400540b | ||
| 22730942 | 17922 | 0 | None | -2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| CHEMBL126846 | 17922 | 0 | None | -2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| 9809330 | 115499 | 0 | None | -39 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| CHEMBL335542 | 115499 | 0 | None | -39 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| 46891179 | 6340 | 0 | None | 251 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 378 | 4 | 2 | 2 | 4.2 | C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1082365 | 6340 | 0 | None | 251 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 378 | 4 | 2 | 2 | 4.2 | C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46871665 | 6517 | 0 | None | 100 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083108 | 6517 | 0 | None | 100 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F | 10.1016/j.bmcl.2010.04.128 | ||
| 25207745 | 15950 | 0 | None | 79 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223941 | 15950 | 0 | None | 79 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 46930343 | 16522 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 2.1 | CCC(=O)NC1CCN(CCCN2C(=O)COc3cc(F)c(F)cc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1242925 | 16522 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 381 | 6 | 1 | 4 | 2.1 | CCC(=O)NC1CCN(CCCN2C(=O)COc3cc(F)c(F)cc32)CC1 | 10.1021/jm100697g | ||
| 264734 | 10015 | 70 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 237 | 2 | 0 | 2 | 2.4 | O=C1C(=O)N(Cc2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL115581 | 10015 | 70 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 237 | 2 | 0 | 2 | 2.4 | O=C1C(=O)N(Cc2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2014.11.011 | ||
| 118724612 | 115963 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 303 | 3 | 0 | 4 | 2.6 | O=C1C(=O)N(Cc2ccc(-n3cccn3)cc2)c2ccccc21 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360956 | 115963 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 303 | 3 | 0 | 4 | 2.6 | O=C1C(=O)N(Cc2ccc(-n3cccn3)cc2)c2ccccc21 | 10.1016/j.bmcl.2014.11.011 | ||
| 44303018 | 200338 | 0 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60833 | 200338 | 0 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 46891597 | 6321 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1ccc(Cl)cc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1082316 | 6321 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1ccc(Cl)cc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46890714 | 6539 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1cc(Cl)ccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083277 | 6539 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1cc(Cl)ccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 44207208 | 16540 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 423 | 7 | 1 | 4 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CSc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243138 | 16540 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 423 | 7 | 1 | 4 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CSc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 145984661 | 164827 | 0 | None | -8 | 2 | Rat | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4237601 | 164827 | 0 | None | -8 | 2 | Rat | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 16094783 | 136044 | 0 | None | -12 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL373888 | 136044 | 0 | None | -12 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 70685587 | 73828 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 351 | 6 | 2 | 5 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccs1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2022948 | 73828 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 351 | 6 | 2 | 5 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccs1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 76327871 | 102795 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.1 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)C1CCCCC1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084452 | 102795 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.1 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)C1CCCCC1 | 10.1016/j.bmcl.2012.03.088 | ||
| 46890718 | 6652 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2cccc(Cl)c2)c(C(=O)NCC2CCNCC2)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083718 | 6652 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2cccc(Cl)c2)c(C(=O)NCC2CCNCC2)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46890972 | 6890 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1F | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1084572 | 6890 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1F | 10.1016/j.bmcl.2010.04.128 | ||
| 46890907 | 6965 | 0 | None | -79 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 311 | 4 | 1 | 1 | 5.4 | Clc1cccc(-c2ccccc2/C=C/CC2CCNCC2)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1084851 | 6965 | 0 | None | -79 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 311 | 4 | 1 | 1 | 5.4 | Clc1cccc(-c2ccccc2/C=C/CC2CCNCC2)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 20918653 | 115949 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 383 | 4 | 0 | 4 | 4.5 | O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccccc1F | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360928 | 115949 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 383 | 4 | 0 | 4 | 4.5 | O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccccc1F | 10.1016/j.bmcl.2014.11.011 | ||
| 187 | 253 | 34 | None | -10 | 6 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.02.012 | ||
| 294 | 253 | 34 | None | -10 | 6 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.02.012 | ||
| 65 | 253 | 34 | None | -10 | 6 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.02.012 | ||
| 8593 | 253 | 34 | None | -10 | 6 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.02.012 | ||
| CHEMBL667 | 253 | 34 | None | -10 | 6 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.02.012 | ||
| DB03128 | 253 | 34 | None | -10 | 6 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.02.012 | ||
| 163938 | 106435 | 13 | None | -316 | 2 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 180 | 1 | 1 | 5 | 0.1 | Nc1noc(C2CN3CCC2C3)n1 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL314737 | 106435 | 13 | None | -316 | 2 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 180 | 1 | 1 | 5 | 0.1 | Nc1noc(C2CN3CCC2C3)n1 | 10.1016/S0960-894X(00)80538-7 | ||
| 117973690 | 136473 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 415 | 5 | 2 | 6 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3745973 | 136473 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 415 | 5 | 2 | 6 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 20918653 | 115949 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 383 | 4 | 0 | 4 | 4.5 | O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccccc1F | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360928 | 115949 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 383 | 4 | 0 | 4 | 4.5 | O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccccc1F | 10.1016/j.bmcl.2014.11.011 | ||
| 15860348 | 117957 | 0 | None | -4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 283 | 6 | 0 | 6 | 2.2 | CCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL341242 | 117957 | 0 | None | -4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 283 | 6 | 0 | 6 | 2.2 | CCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 162659967 | 180680 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 5 | 2 | 6 | 2.7 | Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4761922 | 180680 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 5 | 2 | 6 | 2.7 | Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| 146216751 | 184741 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cc2cc(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4859577 | 184741 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cc2cc(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 124415421 | 164101 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 300 | 1 | 1 | 2 | 4.3 | C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4216615 | 164101 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 300 | 1 | 1 | 2 | 4.3 | C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 44579375 | 192627 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 438 | 4 | 1 | 4 | 4.6 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL523657 | 192627 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 438 | 4 | 1 | 4 | 4.6 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 44251558 | 7143 | 0 | None | 1 | 2 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 371 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 | nan | ||
| CHEMBL1085686 | 7143 | 0 | None | 1 | 2 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 371 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 | nan | ||
| 139414093 | 162992 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 342 | 3 | 1 | 2 | 5.5 | CCC[C@]1(C)N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4202915 | 162992 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 342 | 3 | 1 | 2 | 5.5 | CCC[C@]1(C)N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 122190997 | 123089 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 493 | 5 | 3 | 4 | 5.0 | COc1ccc(N/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618439 | 123089 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 493 | 5 | 3 | 4 | 5.0 | COc1ccc(N/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 117973690 | 136473 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 415 | 5 | 2 | 6 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL3745973 | 136473 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 415 | 5 | 2 | 6 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| 44303396 | 199551 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL60374 | 199551 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 145962939 | 160789 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 445 | 4 | 2 | 5 | 3.0 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(Br)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4125749 | 160789 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 445 | 4 | 2 | 5 | 3.0 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(Br)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 162475030 | 179343 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 456 | 6 | 2 | 6 | 4.0 | COc1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nn4cccc34)cc2)cn1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4746155 | 179343 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 456 | 6 | 2 | 6 | 4.0 | COc1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nn4cccc34)cc2)cn1 | 10.1021/acsmedchemlett.1c00118 | ||
| 118663182 | 164669 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 392 | 5 | 2 | 6 | 2.0 | Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4229092 | 164669 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 392 | 5 | 2 | 6 | 2.0 | Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| 122186859 | 122460 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 2.4 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608419 | 122460 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 2.4 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 62707610 | 76001 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 404 | 5 | 1 | 4 | 3.3 | O=C1CCc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059306 | 76001 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 404 | 5 | 1 | 4 | 3.3 | O=C1CCc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 62705509 | 76018 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 424 | 5 | 1 | 5 | 2.9 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059324 | 76018 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 424 | 5 | 1 | 5 | 2.9 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 53303986 | 73991 | 0 | None | 20 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024407 | 73991 | 0 | None | 20 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 44207908 | 16555 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 357 | 6 | 1 | 4 | 1.8 | O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)C1CC1 | 10.1021/jm100697g | ||
| CHEMBL1243267 | 16555 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 357 | 6 | 1 | 4 | 1.8 | O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)C1CC1 | 10.1021/jm100697g | ||
| 57391102 | 67912 | 2 | None | 2 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916224 | 67912 | 2 | None | 2 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 44209166 | 59244 | 0 | None | -7 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 193 | 1 | 0 | 4 | 1.0 | Cc1noc(C2(C)CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| CHEMBL171721 | 59244 | 0 | None | -7 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 193 | 1 | 0 | 4 | 1.0 | Cc1noc(C2(C)CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| 46872059 | 67914 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL1916226 | 67914 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 10686494 | 100072 | 0 | None | -14 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL291351 | 100072 | 0 | None | -14 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/s0960-894x(98)00509-5 | ||
| 44303408 | 200261 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 361 | 3 | 0 | 5 | 2.6 | Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60777 | 200261 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 361 | 3 | 0 | 5 | 2.6 | Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 10686494 | 100072 | 0 | None | -14 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1021/jm9910019 | ||
| CHEMBL291351 | 100072 | 0 | None | -14 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1021/jm9910019 | ||
| 70685678 | 73995 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 359 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1C)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024418 | 73995 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 359 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1C)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 46930074 | 16541 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 393 | 7 | 1 | 5 | 2.8 | O=C(Cc1ccccc1)NC1CCN(CCCn2c(=O)oc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243139 | 16541 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 393 | 7 | 1 | 5 | 2.8 | O=C(Cc1ccccc1)NC1CCN(CCCn2c(=O)oc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 44578977 | 189000 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 469 | 5 | 1 | 6 | 4.2 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL514689 | 189000 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 469 | 5 | 1 | 6 | 4.2 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 44251558 | 7143 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 371 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| CHEMBL1085686 | 7143 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 371 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| 44589500 | 191979 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 506 | 3 | 1 | 4 | 4.9 | O=C(c1ccccc1C(F)(F)F)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL521388 | 191979 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 506 | 3 | 1 | 4 | 4.9 | O=C(c1ccccc1C(F)(F)F)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 127038325 | 136510 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 402 | 6 | 1 | 6 | 2.1 | CN(C)C(=O)CNC(=O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3746514 | 136510 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 402 | 6 | 1 | 6 | 2.1 | CN(C)C(=O)CNC(=O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 146216735 | 185728 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 463 | 5 | 0 | 6 | 4.1 | Cn1cc2c(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4874580 | 185728 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 463 | 5 | 0 | 6 | 4.1 | Cn1cc2c(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 118724608 | 115960 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 459 | 5 | 0 | 6 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-n5cccn5)cc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360950 | 115960 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 459 | 5 | 0 | 6 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-n5cccn5)cc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 162655325 | 180149 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 409 | 5 | 2 | 5 | 2.8 | Cc1cc(F)c(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4755820 | 180149 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 409 | 5 | 2 | 5 | 2.8 | Cc1cc(F)c(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| 118724608 | 115960 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 459 | 5 | 0 | 6 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-n5cccn5)cc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360950 | 115960 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 459 | 5 | 0 | 6 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-n5cccn5)cc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 126492039 | 160838 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 2.7 | O=C(N[C@H]1CCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126348 | 160838 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 2.7 | O=C(N[C@H]1CCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 122190995 | 123088 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 495 | 4 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)c1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618437 | 123088 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 495 | 4 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)c1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 62705172 | 76002 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 405 | 5 | 1 | 5 | 2.7 | O=C1CCc2ncccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059307 | 76002 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 405 | 5 | 1 | 5 | 2.7 | O=C1CCc2ncccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 71719475 | 87159 | 0 | None | 2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 397 | 4 | 0 | 4 | 3.1 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@H](N3C(=O)Cc4ccccc43)C1)C2 | 10.1021/ml300372f | ||
| CHEMBL2336059 | 87159 | 0 | None | 2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 397 | 4 | 0 | 4 | 3.1 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@H](N3C(=O)Cc4ccccc43)C1)C2 | 10.1021/ml300372f | ||
| 145969354 | 164633 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 422 | 5 | 4 | 6 | 1.5 | Cc1[nH]c(=O)c(C(=O)N[C@H]2CC(O)CC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4228557 | 164633 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 422 | 5 | 4 | 6 | 1.5 | Cc1[nH]c(=O)c(C(=O)N[C@H]2CC(O)CC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| 46890977 | 6654 | 0 | None | 19 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083723 | 6654 | 0 | None | 19 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl | 10.1016/j.bmcl.2010.04.128 | ||
| 42598359 | 15930 | 0 | None | 100 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223864 | 15930 | 0 | None | 100 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 44253016 | 80047 | 2 | None | 1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 299 | 2 | 1 | 3 | 3.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCCCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL2146597 | 80047 | 2 | None | 1 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 299 | 2 | 1 | 3 | 3.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCCCC2)CC1 | 10.1021/ml100105x | ||
| 46930073 | 16538 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 8 | 1 | 4 | 3.2 | COc1ccc2c(c1)N(CCCN1CCC(NC(=O)Cc3ccccc3)CC1)C(=O)CC2 | 10.1021/jm100697g | ||
| CHEMBL1243109 | 16538 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 8 | 1 | 4 | 3.2 | COc1ccc2c(c1)N(CCCN1CCC(NC(=O)Cc3ccccc3)CC1)C(=O)CC2 | 10.1021/jm100697g | ||
| 44578976 | 181398 | 0 | None | 9 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 5 | 1 | 6 | 3.5 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL478034 | 181398 | 0 | None | 9 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 435 | 5 | 1 | 6 | 3.5 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 11734822 | 116135 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 550 | 14 | 0 | 10 | 6.4 | CN1CCC=C(c2nsnc2SCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL336933 | 116135 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 550 | 14 | 0 | 10 | 6.4 | CN1CCC=C(c2nsnc2SCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 145985917 | 164947 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240517 | 164947 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 62705331 | 76008 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 1 | 6 | 2.2 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccncc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059314 | 76008 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 1 | 6 | 2.2 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccncc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 70685670 | 73962 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 359 | 5 | 1 | 4 | 2.4 | CCOC(=O)N1CC[C@H]2[C@H](CCCN2CCNC(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024328 | 73962 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 359 | 5 | 1 | 4 | 2.4 | CCOC(=O)N1CC[C@H]2[C@H](CCCN2CCNC(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.03.088 | ||
| 70685676 | 73987 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 4 | 1 | 4 | 2.6 | CCOC(=O)N1C2CCC1CC(N1CC[C@H](NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024403 | 73987 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 4 | 1 | 4 | 2.6 | CCOC(=O)N1C2CCC1CC(N1CC[C@H](NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 53385831 | 73988 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 3.0 | CCOC(=O)N1C2CCC1CC(N1CC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024404 | 73988 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 3.0 | CCOC(=O)N1C2CCC1CC(N1CC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 53303986 | 73992 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024408 | 73992 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 145962939 | 160789 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 445 | 4 | 2 | 5 | 3.0 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(Br)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4125749 | 160789 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 445 | 4 | 2 | 5 | 3.0 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(Br)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 126492039 | 160838 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 2.7 | O=C(N[C@H]1CCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126348 | 160838 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 2.7 | O=C(N[C@H]1CCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 44251559 | 6982 | 0 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4c(F)ccc(F)c43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| CHEMBL1084940 | 6982 | 0 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4c(F)ccc(F)c43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| 44303424 | 198803 | 0 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 376 | 3 | 0 | 4 | 4.6 | Clc1cc(Cl)cc(C#CCOc2nsnc2C23CC4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL59862 | 198803 | 0 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 376 | 3 | 0 | 4 | 4.6 | Clc1cc(Cl)cc(C#CCOc2nsnc2C23CC4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 145983485 | 164929 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240041 | 164929 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145983485 | 164929 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240041 | 164929 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145985917 | 164947 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240517 | 164947 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 44251559 | 6982 | 0 | None | -1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4c(F)ccc(F)c43)c(F)c2)cn1 | nan | ||
| CHEMBL1084940 | 6982 | 0 | None | -1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4c(F)ccc(F)c43)c(F)c2)cn1 | nan | ||
| 145961455 | 160842 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.7 | Cn1nccc1-c1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126400 | 160842 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.7 | Cn1nccc1-c1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 71540044 | 85931 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(N)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313530 | 85931 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(N)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 1476756 | 200304 | 62 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm400540b | ||
| CHEMBL608112 | 200304 | 62 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm400540b | ||
| 44208359 | 16526 | 0 | None | 23 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 3.5 | COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc43)CC2)cc1OC | 10.1021/jm100697g | ||
| CHEMBL1242979 | 16526 | 0 | None | 23 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 3.5 | COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc43)CC2)cc1OC | 10.1021/jm100697g | ||
| 145984808 | 165231 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 446 | 5 | 2 | 8 | 1.8 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4247625 | 165231 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 446 | 5 | 2 | 8 | 1.8 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 122186859 | 122460 | 0 | None | -1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 2.4 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608419 | 122460 | 0 | None | -1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 2.4 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 44206730 | 16528 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 2.6 | COc1cccc(CC(=O)NC2CCN(CCCN3C(=O)COc4ccccc43)CC2)c1 | 10.1021/jm100697g | ||
| CHEMBL1243010 | 16528 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 2.6 | COc1cccc(CC(=O)NC2CCN(CCCN3C(=O)COc4ccccc43)CC2)c1 | 10.1021/jm100697g | ||
| 46872059 | 67914 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916226 | 67914 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 57391102 | 67912 | 2 | None | -2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916224 | 67912 | 2 | None | -2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 46873654 | 67920 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccs3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916232 | 67920 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccs3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 57391102 | 67912 | 2 | None | 2 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916224 | 67912 | 2 | None | 2 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 145961455 | 160842 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.7 | Cn1nccc1-c1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126400 | 160842 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.7 | Cn1nccc1-c1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 71540044 | 85931 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(N)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313530 | 85931 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(N)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 11072401 | 30562 | 0 | None | -12882 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 592 | 17 | 0 | 10 | 7.6 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL139603 | 30562 | 0 | None | -12882 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 592 | 17 | 0 | 10 | 7.6 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 72945087 | 120030 | 1 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 3 | 0 | 5 | 2.8 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N(C)C)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.085 | ||
| CHEMBL3310802 | 120030 | 1 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 3 | 0 | 5 | 2.8 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N(C)C)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.085 | ||
| CHEMBL3545481 | 120030 | 1 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 3 | 0 | 5 | 2.8 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N(C)C)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.085 | ||
| 162475025 | 180898 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 426 | 5 | 2 | 5 | 4.0 | O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cc2ccc(-c3ccncc3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4764644 | 180898 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 426 | 5 | 2 | 5 | 4.0 | O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cc2ccc(-c3ccncc3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| 3652 | 4034 | 72 | None | -21 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| 57 | 4034 | 72 | None | -21 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| 60809 | 4034 | 72 | None | -21 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| CHEMBL21536 | 4034 | 72 | None | -21 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| DB15357 | 4034 | 72 | None | -21 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| 10403330 | 17147 | 3 | None | -61 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125732 | 17147 | 3 | None | -61 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 44475955 | 2529 | 12 | None | -1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 505 | 6 | 1 | 6 | 4.3 | Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F | 10.1016/j.bmcl.2010.12.015 | ||
| 5437 | 2529 | 12 | None | -1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 505 | 6 | 1 | 6 | 4.3 | Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1357815 | 2529 | 12 | None | -1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 505 | 6 | 1 | 6 | 4.3 | Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F | 10.1016/j.bmcl.2010.12.015 | ||
| 122195090 | 123578 | 0 | None | 6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.5 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](N3Cc4ccccc4NC3=O)C1)C2 | 10.1016/j.bmcl.2015.09.032 | ||
| CHEMBL3633184 | 123578 | 0 | None | 6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.5 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](N3Cc4ccccc4NC3=O)C1)C2 | 10.1016/j.bmcl.2015.09.032 | ||
| 145984808 | 165231 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 446 | 5 | 2 | 8 | 1.8 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4247625 | 165231 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 446 | 5 | 2 | 8 | 1.8 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 135409468 | 2004 | 63 | None | 3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 333 | 2004 | 63 | None | 3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| CHEMBL845 | 2004 | 63 | None | 3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 57398164 | 67915 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 377 | 4 | 1 | 4 | 2.6 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916227 | 67915 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 377 | 4 | 1 | 4 | 2.6 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 145961400 | 161103 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cccc(F)c2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130291 | 161103 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cccc(F)c2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 44589503 | 185936 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 440 | 4 | 1 | 5 | 2.8 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL487762 | 185936 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 440 | 4 | 1 | 5 | 2.8 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 145963674 | 161022 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 5 | 2 | 5 | 3.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1Cc2ccccc2N(Cc2ccc(-n3cccn3)cc2)C1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4129005 | 161022 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 5 | 2 | 5 | 3.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1Cc2ccccc2N(Cc2ccc(-n3cccn3)cc2)C1 | 10.1016/j.bmcl.2018.05.009 | ||
| 145961400 | 161103 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cccc(F)c2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130291 | 161103 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cccc(F)c2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118724597 | 115953 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360939 | 115953 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 118724597 | 115953 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360939 | 115953 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 44475955 | 2529 | 12 | None | -1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 505 | 6 | 1 | 6 | 4.3 | Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F | nan | ||
| 5437 | 2529 | 12 | None | -1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 505 | 6 | 1 | 6 | 4.3 | Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F | nan | ||
| CHEMBL1357815 | 2529 | 12 | None | -1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 505 | 6 | 1 | 6 | 4.3 | Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F | nan | ||
| 118663129 | 182181 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 393 | 5 | 2 | 6 | 2.5 | Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cocn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4790220 | 182181 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 393 | 5 | 2 | 6 | 2.5 | Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cocn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| 151866896 | 182015 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 5 | 2 | 6 | 3.9 | N#Cc1cncc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)c1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4788148 | 182015 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 5 | 2 | 6 | 3.9 | N#Cc1cncc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)c1 | 10.1021/acsmedchemlett.1c00118 | ||
| 139414034 | 163253 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 380 | 2 | 1 | 2 | 5.8 | Fc1ccccc1C1=N[C@@H](c2ccccc2)C(=S)Nc2ccc(Cl)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4206098 | 163253 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 380 | 2 | 1 | 2 | 5.8 | Fc1ccccc1C1=N[C@@H](c2ccccc2)C(=S)Nc2ccc(Cl)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| 139414036 | 164194 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 3 | 1 | 2 | 6.0 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(-c3ccccc3)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4217684 | 164194 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 3 | 1 | 2 | 6.0 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(-c3ccccc3)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 162475031 | 180493 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 444 | 5 | 2 | 5 | 4.2 | O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cc2ccc(-c3ccc(F)cn3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4759834 | 180493 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 444 | 5 | 2 | 5 | 4.2 | O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cc2ccc(-c3ccc(F)cn3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| 44208564 | 16524 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 441 | 7 | 1 | 3 | 3.5 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1242951 | 16524 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 441 | 7 | 1 | 3 | 3.5 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 | 10.1021/jm100697g | ||
| 118732897 | 120358 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 621 | 12 | 1 | 6 | 4.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414842 | 120358 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 621 | 12 | 1 | 6 | 4.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559129 | 120358 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 621 | 12 | 1 | 6 | 4.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| 122186861 | 122462 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2F)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608421 | 122462 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2F)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 10426487 | 2798 | 4 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 10.1016/s0960-894x(98)00509-5 | ||
| 291 | 2798 | 4 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL99521 | 2798 | 4 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 10.1016/s0960-894x(98)00509-5 | ||
| 46891595 | 6410 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1082680 | 6410 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 289 | 240 | 6 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 9948320 | 240 | 6 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| CHEMBL1242950 | 240 | 6 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 46929965 | 16529 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 423 | 7 | 1 | 3 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3c(F)cccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243011 | 16529 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 423 | 7 | 1 | 3 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3c(F)cccc32)CC1 | 10.1021/jm100697g | ||
| 70681453 | 74002 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.4 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)C1CCCCC1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024426 | 74002 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.4 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)C1CCCCC1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 44578928 | 190480 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 492 | 4 | 1 | 4 | 5.3 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL518747 | 190480 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 492 | 4 | 1 | 4 | 5.3 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 10952416 | 34924 | 0 | None | -323 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 578 | 16 | 0 | 10 | 7.2 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143466 | 34924 | 0 | None | -323 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 578 | 16 | 0 | 10 | 7.2 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 146216732 | 184959 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 423 | 5 | 1 | 6 | 2.9 | Cn1cc2c(-c3cc(F)c(CN4Cc5cnn(CCO)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4862985 | 184959 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 423 | 5 | 1 | 6 | 2.9 | Cn1cc2c(-c3cc(F)c(CN4Cc5cnn(CCO)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 122191005 | 123097 | 0 | None | 3 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 509 | 5 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618447 | 123097 | 0 | None | 3 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 509 | 5 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 118724604 | 115957 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccncc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360946 | 115957 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccncc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 118724604 | 115957 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccncc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360946 | 115957 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccncc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 3652 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 3652 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4034 | 72 | None | -21 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 46891142 | 6485 | 0 | None | 63 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 364 | 4 | 2 | 2 | 3.8 | O=C(NC[C@H]1CCNC[C@H]1F)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083003 | 6485 | 0 | None | 63 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 364 | 4 | 2 | 2 | 3.8 | O=C(NC[C@H]1CCNC[C@H]1F)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46891143 | 6558 | 0 | None | 63 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 396 | 4 | 2 | 2 | 4.7 | O=C(NCC1=C(F)CNCC1)c1c(-c2cccc(Cl)c2)ccc(Cl)c1F | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083317 | 6558 | 0 | None | 63 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 396 | 4 | 2 | 2 | 4.7 | O=C(NCC1=C(F)CNCC1)c1c(-c2cccc(Cl)c2)ccc(Cl)c1F | 10.1016/j.bmcl.2010.04.127 | ||
| 46891031 | 6590 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(Cl)cc1-c1ccccc1C(=O)NCC1CCNCC1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083419 | 6590 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(Cl)cc1-c1ccccc1C(=O)NCC1CCNCC1 | 10.1016/j.bmcl.2010.04.128 | ||
| 46890717 | 6651 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(C(=O)NCC2CCNCC2)c(-c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083717 | 6651 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(C(=O)NCC2CCNCC2)c(-c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46891077 | 6736 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 392 | 4 | 2 | 2 | 4.7 | CC1CNCC=C1CNC(=O)c1c(-c2cccc(Cl)c2)ccc(Cl)c1F | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083927 | 6736 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 392 | 4 | 2 | 2 | 4.7 | CC1CNCC=C1CNC(=O)c1c(-c2cccc(Cl)c2)ccc(Cl)c1F | 10.1016/j.bmcl.2010.04.127 | ||
| 46890962 | 6942 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 328 | 4 | 2 | 2 | 3.4 | O=C(Cc1ccccc1-c1cccc(Cl)c1)NC1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1084804 | 6942 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 328 | 4 | 2 | 2 | 3.4 | O=C(Cc1ccccc1-c1cccc(Cl)c1)NC1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| 145986042 | 165325 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 7 | 3.1 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NCC4CCOCC4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4249357 | 165325 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 7 | 3.1 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NCC4CCOCC4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 46891029 | 6516 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1cc(Cl)cc(-c2ccccc2C(=O)NCC2CCNCC2)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083107 | 6516 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1cc(Cl)cc(-c2ccccc2C(=O)NCC2CCNCC2)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| 46891019 | 6581 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 410 | 6 | 1 | 3 | 3.9 | CS(=O)(=O)N(Cc1c(F)cccc1-c1cccc(Cl)c1)CC1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083401 | 6581 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 410 | 6 | 1 | 3 | 3.9 | CS(=O)(=O)N(Cc1c(F)cccc1-c1cccc(Cl)c1)CC1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| 145986042 | 165325 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 7 | 3.1 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NCC4CCOCC4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4249357 | 165325 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 7 | 3.1 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NCC4CCOCC4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 49799920 | 10442 | 0 | None | 6 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL1169506 | 10442 | 0 | None | 6 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 145969659 | 164408 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 431 | 5 | 3 | 7 | 2.3 | O=C(N[C@H]1CCC(O)C[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4225188 | 164408 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 431 | 5 | 3 | 7 | 2.3 | O=C(N[C@H]1CCC(O)C[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| 44215433 | 76000 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 387 | 5 | 1 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059305 | 76000 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 387 | 5 | 1 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 46930252 | 16557 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 2.2 | O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)C1CCC1 | 10.1021/jm100697g | ||
| CHEMBL1243295 | 16557 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 2.2 | O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)C1CCC1 | 10.1021/jm100697g | ||
| 25010776 | 55664 | 1 | None | 1 | 5 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL1559151 | 55664 | 1 | None | 1 | 5 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL1624037 | 55664 | 1 | None | 1 | 5 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2012.03.088 | ||
| 44579416 | 186479 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 449 | 4 | 1 | 5 | 4.2 | N#Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL491208 | 186479 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 449 | 4 | 1 | 5 | 4.2 | N#Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 118124140 | 160868 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2F)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126807 | 160868 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2F)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 22730942 | 17922 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| CHEMBL126846 | 17922 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| 145969333 | 164608 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 425 | 5 | 3 | 7 | 2.3 | Cc1cnc(C(=O)N[C@H]2CCOC(O)[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4228097 | 164608 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 425 | 5 | 3 | 7 | 2.3 | Cc1cnc(C(=O)N[C@H]2CCOC(O)[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| 122186858 | 122459 | 0 | None | -2 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 405 | 4 | 2 | 7 | 1.9 | Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)ccc21 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608418 | 122459 | 0 | None | -2 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 405 | 4 | 2 | 7 | 1.9 | Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)ccc21 | 10.1021/acsmedchemlett.5b00185 | ||
| 126492034 | 160874 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 441 | 6 | 1 | 7 | 3.7 | COc1cccnc1NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126841 | 160874 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 441 | 6 | 1 | 7 | 3.7 | COc1cccnc1NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 127039038 | 136515 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 414 | 5 | 2 | 5 | 3.9 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2ccccc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3746599 | 136515 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 414 | 5 | 2 | 5 | 3.9 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2ccccc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 9904307 | 19263 | 0 | None | -6 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 297 | 7 | 0 | 6 | 2.6 | CCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL129764 | 19263 | 0 | None | -6 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 297 | 7 | 0 | 6 | 2.6 | CCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 145964557 | 163667 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 344 | 2 | 1 | 2 | 4.8 | Fc1ccccc1C1=N[C@@H](C2CC2)C(=S)Nc2ccc(Cl)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4211028 | 163667 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 344 | 2 | 1 | 2 | 4.8 | Fc1ccccc1C1=N[C@@H](C2CC2)C(=S)Nc2ccc(Cl)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| 122189494 | 122818 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 461 | 6 | 2 | 4 | 4.4 | COc1ccc(C(=O)N[C@@H]2c3cc(/N=C(\C)N(C)Cc4ccc(F)cc4)ccc3C[C@H]2O)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616498 | 122818 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 461 | 6 | 2 | 4 | 4.4 | COc1ccc(C(=O)N[C@@H]2c3cc(/N=C(\C)N(C)Cc4ccc(F)cc4)ccc3C[C@H]2O)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 162648092 | 179311 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 437 | 5 | 2 | 6 | 3.4 | Cc1c(Cc2ccc(-c3cscn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4745827 | 179311 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 437 | 5 | 2 | 6 | 3.4 | Cc1c(Cc2ccc(-c3cscn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| 146216707 | 183876 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 463 | 5 | 0 | 6 | 4.1 | Cn1cc2cc(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4846688 | 183876 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 463 | 5 | 0 | 6 | 4.1 | Cn1cc2cc(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 145969659 | 164408 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 431 | 5 | 3 | 7 | 2.3 | O=C(N[C@H]1CCC(O)C[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4225188 | 164408 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 431 | 5 | 3 | 7 | 2.3 | O=C(N[C@H]1CCC(O)C[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| 162658825 | 180418 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 453 | 6 | 2 | 6 | 2.5 | CO[C@@H]1CCN(c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c(=O)n(C)c3C)cc2)C1 | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4758929 | 180418 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 453 | 6 | 2 | 6 | 2.5 | CO[C@@H]1CCN(c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c(=O)n(C)c3C)cc2)C1 | 10.1021/acs.jmedchem.6b00544 | ||
| 127049133 | 140503 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 3.7 | Cn1cc2c(-c3cc(F)c(CN4C=CC5=NCCN5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823999 | 140503 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 3.7 | Cn1cc2c(-c3cc(F)c(CN4C=CC5=NCCN5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 53385782 | 73964 | 0 | None | 56 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024331 | 73964 | 0 | None | 56 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 2166 | 3074 | 46 | None | -25 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmcl.2015.02.012 | ||
| 305 | 3074 | 46 | None | -25 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmcl.2015.02.012 | ||
| 5910 | 3074 | 46 | None | -25 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmcl.2015.02.012 | ||
| CHEMBL550 | 3074 | 46 | None | -25 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmcl.2015.02.012 | ||
| DB01085 | 3074 | 46 | None | -25 | 8 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmcl.2015.02.012 | ||
| 76335135 | 102791 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 359 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1C | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084448 | 102791 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 359 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1C | 10.1016/j.bmcl.2012.03.088 | ||
| 76331523 | 102798 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 351 | 6 | 2 | 5 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccs1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084456 | 102798 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 351 | 6 | 2 | 5 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccs1 | 10.1016/j.bmcl.2012.03.088 | ||
| 62705330 | 76007 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 407 | 5 | 1 | 6 | 2.2 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3cccnc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059313 | 76007 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 407 | 5 | 1 | 6 | 2.2 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3cccnc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 127050528 | 140458 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 393 | 3 | 0 | 5 | 3.4 | Cn1cc2cc(-c3cc(F)c(CN4CCn5nccc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823424 | 140458 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 393 | 3 | 0 | 5 | 3.4 | Cn1cc2cc(-c3cc(F)c(CN4CCn5nccc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 127049133 | 140503 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 3.7 | Cn1cc2c(-c3cc(F)c(CN4C=CC5=NCCN5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823999 | 140503 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 3.7 | Cn1cc2c(-c3cc(F)c(CN4C=CC5=NCCN5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 126492034 | 160874 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 441 | 6 | 1 | 7 | 3.7 | COc1cccnc1NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126841 | 160874 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 441 | 6 | 1 | 7 | 3.7 | COc1cccnc1NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 139414122 | 163759 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 362 | 2 | 1 | 2 | 5.6 | CC(C)[C@@H]1N=C(c2cccc(Cl)c2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4212268 | 163759 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 362 | 2 | 1 | 2 | 5.6 | CC(C)[C@@H]1N=C(c2cccc(Cl)c2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 118729455 | 117347 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 182 | 1 | 1 | 4 | 0.3 | CN1CCC=C(C2=NOC(O)C2)C1 | 10.1016/j.bmcl.2015.02.012 | ||
| CHEMBL3402922 | 117347 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 182 | 1 | 1 | 4 | 0.3 | CN1CCC=C(C2=NOC(O)C2)C1 | 10.1016/j.bmcl.2015.02.012 | ||
| 145982858 | 165246 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248069 | 165246 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 145982858 | 165246 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248069 | 165246 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 127042157 | 136565 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 401 | 6 | 1 | 6 | 3.2 | O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3747254 | 136565 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 401 | 6 | 1 | 6 | 3.2 | O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 145986351 | 164675 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 452 | 6 | 4 | 8 | 0.7 | Cn1c(CO)c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCC(O)C[C@@H]2O)c1=O | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4229133 | 164675 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 452 | 6 | 4 | 8 | 0.7 | Cn1c(CO)c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCC(O)C[C@@H]2O)c1=O | 10.1016/j.bmcl.2018.04.054 | ||
| 118732895 | 120357 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414841 | 120357 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559128 | 120357 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| 145962181 | 160950 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.7 | Cn1cc(-c2ccc(CN3CC(C(=O)N[C@H]4CCCC[C@@H]4O)Oc4ccccc43)cn2)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4128022 | 160950 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.7 | Cn1cc(-c2ccc(CN3CC(C(=O)N[C@H]4CCCC[C@@H]4O)Oc4ccccc43)cn2)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 76313419 | 102790 | 0 | None | 69 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084447 | 102790 | 0 | None | 69 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1 | 10.1016/j.bmcl.2012.03.088 | ||
| 135409468 | 2004 | 63 | None | 3 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 333 | 2004 | 63 | None | 3 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| CHEMBL845 | 2004 | 63 | None | 3 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 122186861 | 122462 | 0 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2F)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608421 | 122462 | 0 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2F)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 122186862 | 122463 | 0 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 408 | 5 | 3 | 6 | 1.3 | CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc32)cc1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608422 | 122463 | 0 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 408 | 5 | 3 | 6 | 1.3 | CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc32)cc1 | 10.1021/acsmedchemlett.5b00185 | ||
| 44207907 | 16548 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 331 | 5 | 1 | 4 | 1.4 | CC(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243202 | 16548 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 331 | 5 | 1 | 4 | 1.4 | CC(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 11124824 | 32031 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 12 | 0 | 10 | 5.7 | CN1CCC=C(c2nsnc2SCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL140985 | 32031 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 12 | 0 | 10 | 5.7 | CN1CCC=C(c2nsnc2SCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 145985065 | 165177 | 0 | None | 2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4246159 | 165177 | 0 | None | 2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 826706 | 41505 | 64 | None | 70 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 286 | 1 | 1 | 2 | 4.2 | SC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL1492697 | 41505 | 64 | None | 70 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 286 | 1 | 1 | 2 | 4.2 | SC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1 | 10.1016/j.bmcl.2017.11.008 | ||
| 145985065 | 165177 | 0 | None | -2 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4246159 | 165177 | 0 | None | -2 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 44578975 | 189111 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 4.9 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL515489 | 189111 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 4.9 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 146487745 | 180250 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 413 | 5 | 1 | 4 | 3.6 | O=C(NCC1CCCO1)c1cc(Cc2ccc(Br)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4756974 | 180250 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 413 | 5 | 1 | 4 | 3.6 | O=C(NCC1CCCO1)c1cc(Cc2ccc(Br)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| 145985065 | 165177 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4246159 | 165177 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145985065 | 165177 | 0 | None | -2 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4246159 | 165177 | 0 | None | -2 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 44303293 | 199741 | 0 | None | -3 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 393 | 3 | 0 | 5 | 3.8 | Clc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60479 | 199741 | 0 | None | -3 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 393 | 3 | 0 | 5 | 3.8 | Clc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 146487799 | 181660 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 3.2 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nn4cccc34)cc2)cn1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4783540 | 181660 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 3.2 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nn4cccc34)cc2)cn1 | 10.1021/acsmedchemlett.1c00118 | ||
| 122191003 | 123096 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 509 | 6 | 3 | 3 | 4.9 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618446 | 123096 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 509 | 6 | 3 | 3 | 4.9 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 145970842 | 164455 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 459 | 6 | 2 | 8 | 2.2 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4nc(C=O)ccc43)cc2)n1 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4225919 | 164455 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 459 | 6 | 2 | 8 | 2.2 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4nc(C=O)ccc43)cc2)n1 | 10.1016/j.bmcl.2018.04.054 | ||
| 139414055 | 163726 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 344 | 2 | 2 | 3 | 4.1 | CC(C)(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4211802 | 163726 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 344 | 2 | 2 | 3 | 4.1 | CC(C)(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 127038317 | 136540 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 3.7 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc3ncccc3c2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3746904 | 136540 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 4 | 2 | 5 | 3.7 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc3ncccc3c2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 44475948 | 61460 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 511 | 7 | 2 | 7 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3)c3cc(F)cc(F)c23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1773111 | 61460 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 511 | 7 | 2 | 7 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3)c3cc(F)cc(F)c23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 145963718 | 161090 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 434 | 5 | 2 | 7 | 1.9 | O=C(N[C@H]1CCOC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130084 | 161090 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 434 | 5 | 2 | 7 | 1.9 | O=C(N[C@H]1CCOC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 139414015 | 163023 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 314 | 2 | 1 | 2 | 4.7 | CC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4203218 | 163023 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 314 | 2 | 1 | 2 | 4.7 | CC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 44207904 | 16562 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 361 | 6 | 1 | 3 | 2.5 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3c(F)cccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243328 | 16562 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 361 | 6 | 1 | 3 | 2.5 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3c(F)cccc32)CC1 | 10.1021/jm100697g | ||
| 46891075 | 6735 | 0 | None | 125 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083926 | 6735 | 0 | None | 125 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46871666 | 6991 | 0 | None | 63 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1084993 | 6991 | 0 | None | 63 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| 145963718 | 161090 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 434 | 5 | 2 | 7 | 1.9 | O=C(N[C@H]1CCOC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130084 | 161090 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 434 | 5 | 2 | 7 | 1.9 | O=C(N[C@H]1CCOC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 70689865 | 73999 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.4 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cc(F)cc(F)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024423 | 73999 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.4 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cc(F)cc(F)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 10397356 | 120204 | 0 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | CC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL354738 | 120204 | 0 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | CC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71555066 | 140433 | 12 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 322 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823130 | 140433 | 12 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 322 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1 | 10.1016/j.bmcl.2016.04.083 | ||
| 145961193 | 161101 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 432 | 7 | 2 | 6 | 2.9 | CC(O)(CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1)C1CC1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130287 | 161101 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 432 | 7 | 2 | 6 | 2.9 | CC(O)(CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1)C1CC1 | 10.1016/j.bmcl.2018.05.009 | ||
| 145961193 | 161101 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 432 | 7 | 2 | 6 | 2.9 | CC(O)(CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1)C1CC1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130287 | 161101 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 432 | 7 | 2 | 6 | 2.9 | CC(O)(CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1)C1CC1 | 10.1016/j.bmcl.2018.05.009 | ||
| 146216704 | 185611 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cc2c(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4872836 | 185611 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cc2c(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 118724607 | 115959 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 491 | 5 | 0 | 6 | 5.6 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-c5cnn(C)c5)cc4F)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360949 | 115959 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 491 | 5 | 0 | 6 | 5.6 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-c5cnn(C)c5)cc4F)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 118724607 | 115959 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 491 | 5 | 0 | 6 | 5.6 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-c5cnn(C)c5)cc4F)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360949 | 115959 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 491 | 5 | 0 | 6 | 5.6 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(-c5cnn(C)c5)cc4F)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 122190998 | 123091 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 507 | 6 | 3 | 4 | 4.7 | COc1cccc(CN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)c1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618441 | 123091 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 507 | 6 | 3 | 4 | 4.7 | COc1cccc(CN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)c1 | 10.1016/j.bmcl.2015.08.011 | ||
| 42598586 | 15947 | 0 | None | 1 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(=O)(=O)CC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223938 | 15947 | 0 | None | 1 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(=O)(=O)CC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 9913341 | 81746 | 3 | None | -630 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL216927 | 81746 | 3 | None | -630 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL553058 | 81746 | 3 | None | -630 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 10104167 | 2028 | 1 | None | -14 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500860w | ||
| 6937 | 2028 | 1 | None | -14 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500860w | ||
| CHEMBL3121473 | 2028 | 1 | None | -14 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500860w | ||
| 22745278 | 186480 | 1 | None | 4 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL491209 | 186480 | 1 | None | 4 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 129456 | 205443 | 11 | None | -8 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| CHEMBL92421 | 205443 | 11 | None | -8 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| 44303314 | 100466 | 0 | None | 10 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL293982 | 100466 | 0 | None | 10 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 42598360 | 15928 | 0 | None | 63 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223862 | 15928 | 0 | None | 63 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42599071 | 15948 | 0 | None | 125 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223939 | 15948 | 0 | None | 125 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 25230693 | 15949 | 0 | None | 63 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223940 | 15949 | 0 | None | 63 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 62705175 | 76004 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 405 | 5 | 1 | 5 | 2.7 | O=C1CCc2cccnc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059310 | 76004 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 405 | 5 | 1 | 5 | 2.7 | O=C1CCc2cccnc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 46930342 | 16571 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 361 | 6 | 1 | 3 | 2.5 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3ccc(F)cc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243358 | 16571 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 361 | 6 | 1 | 3 | 2.5 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3ccc(F)cc32)CC1 | 10.1021/jm100697g | ||
| 44207447 | 16577 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 379 | 6 | 1 | 3 | 2.6 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243387 | 16577 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 379 | 6 | 1 | 3 | 2.6 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 | 10.1021/jm100697g | ||
| 162646208 | 178894 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 422 | 5 | 2 | 7 | 1.4 | Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4740865 | 178894 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 422 | 5 | 2 | 7 | 1.4 | Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| 11725107 | 100147 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 3 | 0 | 5 | 2.1 | Fc1cc(F)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL291872 | 100147 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 3 | 0 | 5 | 2.1 | Fc1cc(F)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 59654579 | 123090 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618440 | 123090 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 76335136 | 102794 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084451 | 102794 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| 25010776 | 55664 | 1 | None | -1 | 5 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1559151 | 55664 | 1 | None | -1 | 5 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1624037 | 55664 | 1 | None | -1 | 5 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 3652 | 4034 | 72 | None | -21 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| 57 | 4034 | 72 | None | -21 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| 60809 | 4034 | 72 | None | -21 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| CHEMBL21536 | 4034 | 72 | None | -21 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| DB15357 | 4034 | 72 | None | -21 | 9 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| 650899 | 54129 | 10 | None | 4 | 5 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL1535797 | 54129 | 10 | None | 4 | 5 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL1609153 | 54129 | 10 | None | 4 | 5 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 71737672 | 2539 | 14 | None | -3 | 6 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 8687 | 2539 | 14 | None | -3 | 6 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329755 | 2539 | 14 | None | -3 | 6 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 70687733 | 73827 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 354 | 5 | 2 | 5 | 0.8 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1CCOCC1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2022944 | 73827 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 354 | 5 | 2 | 5 | 0.8 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1CCOCC1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 70687828 | 73993 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 7 | 2 | 4 | 2.3 | C=CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024410 | 73993 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 7 | 2 | 4 | 2.3 | C=CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 71717377 | 86137 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 437 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(Br)c3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315678 | 86137 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 437 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(Br)c3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 146216775 | 183950 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 378 | 3 | 0 | 5 | 4.0 | Cn1cc2cc(-c3ccc(CN4Cc5ncsc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4847801 | 183950 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 378 | 3 | 0 | 5 | 4.0 | Cn1cc2cc(-c3ccc(CN4Cc5ncsc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 187 | 253 | 34 | None | -10 | 6 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 294 | 253 | 34 | None | -10 | 6 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 65 | 253 | 34 | None | -10 | 6 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 8593 | 253 | 34 | None | -10 | 6 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| CHEMBL667 | 253 | 34 | None | -10 | 6 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| DB03128 | 253 | 34 | None | -10 | 6 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 118724598 | 115954 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(F)cc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360940 | 115954 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(F)cc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 71717377 | 86137 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 437 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(Br)c3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315678 | 86137 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 437 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(Br)c3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 118724598 | 115954 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(F)cc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360940 | 115954 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(F)cc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 162654237 | 180002 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 391 | 5 | 2 | 5 | 2.7 | Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4754262 | 180002 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 391 | 5 | 2 | 5 | 2.7 | Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| 301 | 2498 | 16 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmcl.2015.02.012 | ||
| 9571002 | 2498 | 16 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmcl.2015.02.012 | ||
| CHEMBL151938 | 2498 | 16 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmcl.2015.02.012 | ||
| 53303986 | 73991 | 0 | None | 20 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024407 | 73991 | 0 | None | 20 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 289 | 240 | 6 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 9948320 | 240 | 6 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| CHEMBL1242950 | 240 | 6 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 134817226 | 164683 | 3 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 3.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@@H]4CCCC[C@H]4O)c4c(F)cc(F)cc43)cn2)cn1 | 10.1021/acs.jmedchem.7b01812 | ||
| CHEMBL4229203 | 164683 | 3 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 3.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@@H]4CCCC[C@H]4O)c4c(F)cc(F)cc43)cn2)cn1 | 10.1021/acs.jmedchem.7b01812 | ||
| 70692018 | 73963 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024329 | 73963 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 44589681 | 184706 | 0 | None | -229 | 5 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL485913 | 184706 | 0 | None | -229 | 5 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 10952349 | 34907 | 0 | None | -3467 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 564 | 15 | 0 | 10 | 6.8 | CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143434 | 34907 | 0 | None | -3467 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 564 | 15 | 0 | 10 | 6.8 | CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 118124039 | 160914 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 431 | 5 | 2 | 5 | 3.7 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccc3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127506 | 160914 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 431 | 5 | 2 | 5 | 3.7 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccc3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 127039042 | 136544 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.7 | Cc1cnc2c(C(=O)N[C@H]3CCOC[C@@H]3O)cn(Cc3ccc(-c4ccn(C)n4)cc3)c2c1 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3747004 | 136544 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.7 | Cc1cnc2c(C(=O)N[C@H]3CCOC[C@@H]3O)cn(Cc3ccc(-c4ccn(C)n4)cc3)c2c1 | 10.1016/j.bmcl.2015.11.053 | ||
| 44590188 | 178504 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 452 | 3 | 1 | 4 | 4.2 | Cc1cccc(C(=O)N2CCC(N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)CC2)c1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL471636 | 178504 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 452 | 3 | 1 | 4 | 4.2 | Cc1cccc(C(=O)N2CCC(N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)CC2)c1 | 10.1016/j.bmcl.2008.09.032 | ||
| 118124169 | 161099 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 446 | 6 | 2 | 6 | 2.7 | O=C(NCC(O)C(F)(F)F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130246 | 161099 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 446 | 6 | 2 | 6 | 2.7 | O=C(NCC(O)C(F)(F)F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 127039040 | 136482 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 416 | 5 | 2 | 7 | 2.7 | O=C(N[C@H]1CCCC[C@@H]1O)c1nn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3746104 | 136482 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 416 | 5 | 2 | 7 | 2.7 | O=C(N[C@H]1CCCC[C@@H]1O)c1nn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 14851833 | 163924 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 396 | 1 | 1 | 2 | 4.0 | Fc1ccccc1C1=NCC(=S)Nc2ccc(I)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4214189 | 163924 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 396 | 1 | 1 | 2 | 4.0 | Fc1ccccc1C1=NCC(=S)Nc2ccc(I)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| 146216719 | 184731 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cc2c(-c3cc(F)c(CN4Cc5ccsc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4859477 | 184731 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cc2c(-c3cc(F)c(CN4Cc5ccsc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 139414008 | 163809 | 0 | None | -1 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4212760 | 163809 | 0 | None | -1 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 145960875 | 160898 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccc(F)cc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127356 | 160898 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccc(F)cc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 9308 | 17572 | 16 | None | -11 | 9 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17572 | 16 | None | -11 | 9 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17572 | 16 | None | -11 | 9 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17572 | 16 | None | -11 | 9 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 44216759 | 61458 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 475 | 7 | 2 | 7 | 3.8 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1773100 | 61458 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 475 | 7 | 2 | 7 | 3.8 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 44350993 | 167700 | 0 | None | -6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 299 | 6 | 0 | 6 | 2.9 | CCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL433867 | 167700 | 0 | None | -6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 299 | 6 | 0 | 6 | 2.9 | CCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 5441 | 2393 | 5 | None | 30 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 9893054 | 2393 | 5 | None | 30 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616501 | 2393 | 5 | None | 30 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 145962181 | 160950 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.7 | Cn1cc(-c2ccc(CN3CC(C(=O)N[C@H]4CCCC[C@@H]4O)Oc4ccccc43)cn2)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4128022 | 160950 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.7 | Cn1cc(-c2ccc(CN3CC(C(=O)N[C@H]4CCCC[C@@H]4O)Oc4ccccc43)cn2)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 70689864 | 73990 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 2.3 | CCOC(=O)N1C2CCC1CC(N1CC(NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024406 | 73990 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 2.3 | CCOC(=O)N1C2CCC1CC(N1CC(NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 145960875 | 160898 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccc(F)cc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127356 | 160898 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccc(F)cc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118124169 | 161099 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 446 | 6 | 2 | 6 | 2.7 | O=C(NCC(O)C(F)(F)F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130246 | 161099 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 446 | 6 | 2 | 6 | 2.7 | O=C(NCC(O)C(F)(F)F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 145982857 | 165245 | 0 | None | -2 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248057 | 165245 | 0 | None | -2 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145961235 | 160840 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 3.0 | NC1CCCCC1NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126393 | 160840 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 3.0 | NC1CCCCC1NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118123991 | 160881 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 407 | 5 | 2 | 5 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(C3CC3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127046 | 160881 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 407 | 5 | 2 | 5 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(C3CC3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 146487687 | 182988 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 460 | 5 | 2 | 5 | 4.7 | O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-c3ccnc(Cl)c3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4800374 | 182988 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 460 | 5 | 2 | 5 | 4.7 | O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-c3ccnc(Cl)c3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| 145982857 | 165245 | 0 | None | -2 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248057 | 165245 | 0 | None | -2 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 44351073 | 17810 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 8 | 0 | 6 | 3.7 | CCCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126237 | 17810 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 8 | 0 | 6 | 3.7 | CCCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 137701968 | 164845 | 4 | None | 1 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4238059 | 164845 | 4 | None | 1 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145985917 | 164947 | 0 | None | -2 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240517 | 164947 | 0 | None | -2 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145985917 | 164947 | 0 | None | -2 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240517 | 164947 | 0 | None | -2 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 126492036 | 160895 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.8 | O=C(Nc1ncccc1F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127312 | 160895 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.8 | O=C(Nc1ncccc1F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 9815331 | 201417 | 1 | None | -6 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -6 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 137701968 | 164845 | 4 | None | 1 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4238059 | 164845 | 4 | None | 1 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| 70694062 | 73996 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.8 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1Cl)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024419 | 73996 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.8 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1Cl)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 25010776 | 55664 | 1 | None | 1 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1559151 | 55664 | 1 | None | 1 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1624037 | 55664 | 1 | None | 1 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 44589594 | 184613 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 458 | 4 | 1 | 5 | 3.0 | O=c1[nH]c2cc(F)ccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL485755 | 184613 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 458 | 4 | 1 | 5 | 3.0 | O=c1[nH]c2cc(F)ccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 25010776 | 55664 | 1 | None | -1 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1559151 | 55664 | 1 | None | -1 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1624037 | 55664 | 1 | None | -1 | 5 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 145961235 | 160840 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 3.0 | NC1CCCCC1NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126393 | 160840 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 3.0 | NC1CCCCC1NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 126492036 | 160895 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.8 | O=C(Nc1ncccc1F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127312 | 160895 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.8 | O=C(Nc1ncccc1F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 44251557 | 6533 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.1 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| CHEMBL1083205 | 6533 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.1 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| 44251554 | 6983 | 0 | None | 1 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 317 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| CHEMBL1084941 | 6983 | 0 | None | 1 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 317 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| 139414071 | 163391 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 378 | 3 | 1 | 3 | 5.2 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(OC(F)(F)F)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4207635 | 163391 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 378 | 3 | 1 | 3 | 5.2 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(OC(F)(F)F)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 44251557 | 6533 | 0 | None | -1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.1 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 | nan | ||
| CHEMBL1083205 | 6533 | 0 | None | -1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.1 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4cccc(F)c43)c(F)c2)cn1 | nan | ||
| 139414044 | 163972 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 328 | 3 | 1 | 2 | 5.1 | CCC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4214867 | 163972 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 328 | 3 | 1 | 2 | 5.1 | CCC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 71533547 | 85929 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 321 | 3 | 0 | 3 | 3.3 | Cn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313520 | 85929 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 321 | 3 | 0 | 3 | 3.3 | Cn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 76324307 | 102793 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 375 | 7 | 2 | 5 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(OC)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084450 | 102793 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 375 | 7 | 2 | 5 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(OC)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| 71533547 | 85929 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 321 | 3 | 0 | 3 | 3.3 | Cn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313520 | 85929 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 321 | 3 | 0 | 3 | 3.3 | Cn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 44251554 | 6983 | 0 | None | -1 | 4 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 317 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)cc2)cn1 | nan | ||
| CHEMBL1084941 | 6983 | 0 | None | -1 | 4 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 317 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)cc2)cn1 | nan | ||
| 68176440 | 115964 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 355 | 3 | 0 | 6 | 3.1 | Cn1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc-2c1=O | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360958 | 115964 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 355 | 3 | 0 | 6 | 3.1 | Cn1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc-2c1=O | 10.1016/j.bmcl.2014.11.011 | ||
| 146216715 | 185265 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cc2cc(-c3cc(F)c(CN4Cc5ccsc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4867614 | 185265 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cc2cc(-c3cc(F)c(CN4Cc5ccsc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 127038678 | 136464 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 6 | 2 | 6 | 3.6 | O=C(N[C@H]1CC[C@H](CO)CC1)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3745855 | 136464 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 6 | 2 | 6 | 3.6 | O=C(N[C@H]1CC[C@H](CO)CC1)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 46891140 | 6632 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 380 | 4 | 2 | 2 | 4.5 | O=C(NCC1CCNCC1)c1c(-c2cccc(Cl)c2)ccc(Cl)c1F | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083621 | 6632 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 380 | 4 | 2 | 2 | 4.5 | O=C(NCC1CCNCC1)c1c(-c2cccc(Cl)c2)ccc(Cl)c1F | 10.1016/j.bmcl.2010.04.127 | ||
| 46890975 | 6948 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1ccc(F)c(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1084818 | 6948 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1ccc(F)c(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| 25199525 | 15905 | 0 | None | 5 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 358 | 4 | 0 | 5 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223807 | 15905 | 0 | None | 5 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 358 | 4 | 0 | 5 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 117937675 | 122456 | 0 | None | 2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.1 | Cn1cc(-c2ccc(Cn3nc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608415 | 122456 | 0 | None | 2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.1 | Cn1cc(-c2ccc(Cn3nc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 187 | 253 | 34 | None | -10 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 294 | 253 | 34 | None | -10 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 65 | 253 | 34 | None | -10 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 8593 | 253 | 34 | None | -10 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL667 | 253 | 34 | None | -10 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| DB03128 | 253 | 34 | None | -10 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm201348t | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm201348t | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm201348t | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm201348t | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm201348t | ||
| 57399810 | 67916 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 389 | 5 | 1 | 5 | 2.5 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(OC)c3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916228 | 67916 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 389 | 5 | 1 | 5 | 2.5 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(OC)c3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 118124117 | 3987 | 4 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 10.1016/j.bmcl.2018.05.009 | ||
| 12305 | 3987 | 4 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127762 | 3987 | 4 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 10.1016/j.bmcl.2018.05.009 | ||
| 118124117 | 3987 | 4 | None | 2 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 10.1016/j.bmcl.2018.05.009 | ||
| 12305 | 3987 | 4 | None | 2 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127762 | 3987 | 4 | None | 2 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 10.1016/j.bmcl.2018.05.009 | ||
| 70681454 | 74003 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 380 | 5 | 2 | 4 | 2.7 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1[C@@H](C)CCC[C@H]1C)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024427 | 74003 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 380 | 5 | 2 | 4 | 2.7 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1[C@@H](C)CCC[C@H]1C)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 118123991 | 160881 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 407 | 5 | 2 | 5 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(C3CC3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127046 | 160881 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 407 | 5 | 2 | 5 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(C3CC3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 139414069 | 163615 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 340 | 3 | 1 | 2 | 5.1 | S=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1CC1CC1 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4210455 | 163615 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 340 | 3 | 1 | 2 | 5.1 | S=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1CC1CC1 | 10.1016/j.bmcl.2017.11.008 | ||
| 9913341 | 81746 | 3 | None | -630 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL216927 | 81746 | 3 | None | -630 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL553058 | 81746 | 3 | None | -630 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 44418764 | 81747 | 0 | None | 1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| CHEMBL216928 | 81747 | 0 | None | 1 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| 16094788 | 141383 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL386983 | 141383 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 46891376 | 6331 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 361 | 4 | 1 | 4 | 3.7 | O=C(NCC12CCN(CC1)CC2)c1ccccc1-c1nc(Cl)cs1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1082341 | 6331 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 361 | 4 | 1 | 4 | 3.7 | O=C(NCC12CCN(CC1)CC2)c1ccccc1-c1nc(Cl)cs1 | 10.1016/j.bmcl.2010.04.128 | ||
| 46891375 | 6726 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 335 | 4 | 2 | 4 | 3.2 | O=C(NCC1CCNCC1)c1ccccc1-c1nc(Cl)cs1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46891375 | 6726 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 335 | 4 | 2 | 4 | 3.2 | O=C(NCC1CCNCC1)c1ccccc1-c1nc(Cl)cs1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083911 | 6726 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 335 | 4 | 2 | 4 | 3.2 | O=C(NCC1CCNCC1)c1ccccc1-c1nc(Cl)cs1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083911 | 6726 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 335 | 4 | 2 | 4 | 3.2 | O=C(NCC1CCNCC1)c1ccccc1-c1nc(Cl)cs1 | 10.1016/j.bmcl.2010.04.128 | ||
| 10092649 | 192471 | 51 | None | -2 | 11 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | -2 | 11 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 127039041 | 136451 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.7 | Cc1ccc2c(n1)c(C(=O)N[C@H]1CCOC[C@@H]1O)cn2Cc1ccc(-c2ccn(C)n2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL3745724 | 136451 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.7 | Cc1ccc2c(n1)c(C(=O)N[C@H]1CCOC[C@@H]1O)cn2Cc1ccc(-c2ccn(C)n2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| 10092649 | 192471 | 51 | None | -2 | 11 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | -2 | 11 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 145984780 | 165153 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 2 | 7 | 2.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4245556 | 165153 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 2 | 7 | 2.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 127038679 | 136596 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 397 | 5 | 1 | 7 | 3.3 | Cn1ccc(NC(=O)c2cn(Cc3ccc(-n4cccn4)cc3)c3cccnc23)n1 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3747724 | 136596 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 397 | 5 | 1 | 7 | 3.3 | Cn1ccc(NC(=O)c2cn(Cc3ccc(-n4cccn4)cc3)c3cccnc23)n1 | 10.1016/j.bmcl.2015.11.053 | ||
| 44214356 | 17825 | 0 | None | -11 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 8 | 0 | 6 | 3.0 | CCCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126332 | 17825 | 0 | None | -11 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 8 | 0 | 6 | 3.0 | CCCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 10251795 | 181240 | 0 | None | 7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 424 | 4 | 1 | 4 | 4.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL477821 | 181240 | 0 | None | 7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 424 | 4 | 1 | 4 | 4.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 145984780 | 165153 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 2 | 7 | 2.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4245556 | 165153 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 2 | 7 | 2.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 25010776 | 55664 | 1 | None | 1 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL1559151 | 55664 | 1 | None | 1 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL1624037 | 55664 | 1 | None | 1 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | 10.1016/j.bmcl.2012.03.088 | ||
| 44589593 | 185262 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 458 | 4 | 1 | 5 | 3.0 | O=c1[nH]c2c(F)cccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL486758 | 185262 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 458 | 4 | 1 | 5 | 3.0 | O=c1[nH]c2c(F)cccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 46873655 | 67922 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 393 | 4 | 1 | 4 | 3.2 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916234 | 67922 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 393 | 4 | 1 | 4 | 3.2 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 3652 | 4034 | 72 | None | -21 | 9 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| 57 | 4034 | 72 | None | -21 | 9 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| 60809 | 4034 | 72 | None | -21 | 9 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| CHEMBL21536 | 4034 | 72 | None | -21 | 9 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| DB15357 | 4034 | 72 | None | -21 | 9 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| 145963344 | 160800 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 3.3 | O=C(N[C@H]1CCCCC1=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4125860 | 160800 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 3.3 | O=C(N[C@H]1CCCCC1=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 145975401 | 163249 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 344 | 2 | 1 | 2 | 5.0 | CC(C)C1C(=O)N(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4206066 | 163249 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 344 | 2 | 1 | 2 | 5.0 | CC(C)C1C(=O)N(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 46930250 | 16551 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 345 | 6 | 1 | 4 | 1.8 | CCC(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243232 | 16551 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 345 | 6 | 1 | 4 | 1.8 | CCC(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 145963344 | 160800 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 3.3 | O=C(N[C@H]1CCCCC1=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4125860 | 160800 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 3.3 | O=C(N[C@H]1CCCCC1=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 187 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 294 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 65 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 8593 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL667 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| DB03128 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 187 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 294 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 65 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 8593 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| CHEMBL667 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| DB03128 | 253 | 34 | None | -10 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 10419574 | 57789 | 0 | None | -2 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 168 | 3 | 0 | 3 | 1.1 | CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL167438 | 57789 | 0 | None | -2 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 168 | 3 | 0 | 3 | 1.1 | CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44590186 | 178503 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 452 | 3 | 1 | 4 | 4.2 | Cc1ccccc1C(=O)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL471635 | 178503 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 452 | 3 | 1 | 4 | 4.2 | Cc1ccccc1C(=O)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 127038318 | 136547 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.4 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cc(-c4ccncc4)cn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3747037 | 136547 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.4 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cc(-c4ccncc4)cn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 145963886 | 163711 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 329 | 2 | 1 | 3 | 4.4 | CC(C)[C@@H]1N=C(c2cccnc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4211618 | 163711 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 329 | 2 | 1 | 3 | 4.4 | CC(C)[C@@H]1N=C(c2cccnc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 117686764 | 140512 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5ncccc54)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3824114 | 140512 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5ncccc54)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 146216774 | 185430 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 377 | 3 | 0 | 4 | 4.6 | Cn1cc2cc(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4870412 | 185430 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 377 | 3 | 0 | 4 | 4.6 | Cn1cc2cc(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 71460588 | 81539 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)C(F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164910 | 81539 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)C(F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 44330080 | 107234 | 0 | None | 8 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL319109 | 107234 | 0 | None | 8 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 117937644 | 122455 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608414 | 122455 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 117686764 | 140512 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5ncccc54)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3824114 | 140512 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5ncccc54)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 145961841 | 161097 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 466 | 5 | 2 | 6 | 3.7 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cc(Cl)ccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130215 | 161097 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 466 | 5 | 2 | 6 | 3.7 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cc(Cl)ccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 145961106 | 160956 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 433 | 5 | 2 | 7 | 2.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3ccnc3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4128093 | 160956 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 433 | 5 | 2 | 7 | 2.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3ccnc3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 146216742 | 185170 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cnc2ccc(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cc21 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4866266 | 185170 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 395 | 3 | 0 | 4 | 4.7 | Cn1cnc2ccc(-c3cc(F)c(CN4Cc5sccc5C4=O)c(F)c3)cc21 | 10.1016/j.bmcl.2021.128193 | ||
| 10092649 | 192471 | 51 | None | -2 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 10092649 | 192471 | 51 | None | -2 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL522460 | 192471 | 51 | None | -2 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL522460 | 192471 | 51 | None | -2 | 11 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 145971391 | 164087 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 2 | 1 | 3 | 4.4 | CC(C)[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4216319 | 164087 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 2 | 1 | 3 | 4.4 | CC(C)[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 145970395 | 164523 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 5 | 2 | 6 | 2.5 | Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4226889 | 164523 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 5 | 2 | 6 | 2.5 | Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1016/j.bmcl.2018.04.054 | ||
| 145970395 | 164523 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 5 | 2 | 6 | 2.5 | Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4226889 | 164523 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 5 | 2 | 6 | 2.5 | Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| 46929968 | 16534 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 423 | 7 | 1 | 3 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3cccc(F)c32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243074 | 16534 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 423 | 7 | 1 | 3 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3cccc(F)c32)CC1 | 10.1021/jm100697g | ||
| 9809330 | 115499 | 0 | None | -39 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL335542 | 115499 | 0 | None | -39 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 145961106 | 160956 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 433 | 5 | 2 | 7 | 2.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3ccnc3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4128093 | 160956 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 433 | 5 | 2 | 7 | 2.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3ccnc3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 146216736 | 184961 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 475 | 6 | 0 | 5 | 4.6 | Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(CCN6CCCC6)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4863018 | 184961 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 475 | 6 | 0 | 5 | 4.6 | Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(CCN6CCCC6)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 127039041 | 136451 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.7 | Cc1ccc2c(n1)c(C(=O)N[C@H]1CCOC[C@@H]1O)cn2Cc1ccc(-c2ccn(C)n2)cc1 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3745724 | 136451 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.7 | Cc1ccc2c(n1)c(C(=O)N[C@H]1CCOC[C@@H]1O)cn2Cc1ccc(-c2ccn(C)n2)cc1 | 10.1016/j.bmcl.2015.11.053 | ||
| 46891076 | 6630 | 0 | None | 398 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 344 | 4 | 2 | 2 | 3.8 | O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083618 | 6630 | 0 | None | 398 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 344 | 4 | 2 | 2 | 3.8 | O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 42599068 | 15903 | 0 | None | 39 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223805 | 15903 | 0 | None | 39 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598357 | 15929 | 0 | None | 125 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223863 | 15929 | 0 | None | 125 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 117937652 | 122458 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608417 | 122458 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 62705505 | 76014 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 3.5 | O=C1CCc2cccc(F)c2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059320 | 76014 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 3.5 | O=C1CCc2cccc(F)c2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 118732899 | 120359 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 595 | 12 | 1 | 6 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414843 | 120359 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 595 | 12 | 1 | 6 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559130 | 120359 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 595 | 12 | 1 | 6 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| 54585946 | 61463 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 493 | 7 | 2 | 7 | 3.9 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(-c4cn[nH]c4)ccc3F)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1773115 | 61463 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 493 | 7 | 2 | 7 | 3.9 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(-c4cn[nH]c4)ccc3F)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 145960540 | 161091 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cc(F)ccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130089 | 161091 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cc(F)ccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 145962519 | 160822 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2c(F)cccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126120 | 160822 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2c(F)cccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 10444753 | 117346 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 249 | 2 | 0 | 4 | 1.0 | CN1CCC=C(C2=NOC(N3CCCC3=O)C2)C1 | 10.1016/j.bmcl.2015.02.012 | ||
| CHEMBL3402921 | 117346 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 249 | 2 | 0 | 4 | 1.0 | CN1CCC=C(C2=NOC(N3CCCC3=O)C2)C1 | 10.1016/j.bmcl.2015.02.012 | ||
| 122191008 | 123100 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 465 | 5 | 2 | 3 | 5.0 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618450 | 123100 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 465 | 5 | 2 | 3 | 5.0 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 46891022 | 6584 | 0 | None | 39 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 380 | 4 | 2 | 2 | 4.5 | O=C(NCC1CCNCC1)c1c(F)cccc1-c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083404 | 6584 | 0 | None | 39 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 380 | 4 | 2 | 2 | 4.5 | O=C(NCC1CCNCC1)c1c(F)cccc1-c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2010.04.127 | ||
| 24751745 | 198173 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(F)c32)cc1 | 10.1021/jm400540b | ||
| CHEMBL594432 | 198173 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 345 | 4 | 1 | 4 | 3.0 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(F)c32)cc1 | 10.1021/jm400540b | ||
| 44207445 | 16576 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 361 | 6 | 1 | 3 | 2.5 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3cccc(F)c32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243386 | 16576 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 361 | 6 | 1 | 3 | 2.5 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3cccc(F)c32)CC1 | 10.1021/jm100697g | ||
| 149505732 | 185649 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 321 | 1 | 1 | 3 | 4.6 | Cc1ccc2c(c1)N=C(C1=CCN(C)CC1)c1cc(F)ccc1N2 | 10.1016/j.bmcl.2021.127911 | ||
| CHEMBL4873426 | 185649 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 321 | 1 | 1 | 3 | 4.6 | Cc1ccc2c(c1)N=C(C1=CCN(C)CC1)c1cc(F)ccc1N2 | 10.1016/j.bmcl.2021.127911 | ||
| 57394608 | 67917 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 395 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(F)c(F)c3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916229 | 67917 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 395 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(F)c(F)c3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 139414132 | 164023 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 2 | 1 | 2 | 5.3 | FC(F)(F)C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4215404 | 164023 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 2 | 1 | 2 | 5.3 | FC(F)(F)C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 3652 | 4034 | 72 | None | -21 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4034 | 72 | None | -21 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4034 | 72 | None | -21 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4034 | 72 | None | -21 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4034 | 72 | None | -21 | 9 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 16094810 | 137360 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| CHEMBL376295 | 137360 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| 46890846 | 7278 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 342 | 5 | 2 | 2 | 4.1 | O=C(NCCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1086298 | 7278 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 342 | 5 | 2 | 2 | 4.1 | O=C(NCCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 20449980 | 163518 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 303 | 1 | 1 | 1 | 5.1 | Fc1ccccc1C1=CCC(=S)Nc2ccc(Cl)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4209299 | 163518 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 303 | 1 | 1 | 1 | 5.1 | Fc1ccccc1C1=CCC(=S)Nc2ccc(Cl)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| 139414027 | 163664 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 342 | 3 | 1 | 2 | 5.3 | CC(C)C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4210984 | 163664 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 342 | 3 | 1 | 2 | 5.3 | CC(C)C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 3081966 | 164293 | 15 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 304 | 1 | 1 | 2 | 4.1 | Fc1ccccc1C1=NCC(=S)Nc2ccc(Cl)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4218941 | 164293 | 15 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 304 | 1 | 1 | 2 | 4.1 | Fc1ccccc1C1=NCC(=S)Nc2ccc(Cl)cc21 | 10.1016/j.bmcl.2017.11.008 | ||
| 145962519 | 160822 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2c(F)cccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126120 | 160822 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2c(F)cccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118732893 | 120353 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 567 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414840 | 120353 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 567 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559070 | 120353 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 567 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| 53385877 | 73989 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 371 | 4 | 1 | 4 | 2.6 | CCOC(=O)N1C2CCC1CC(N1CC[C@@H](NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024405 | 73989 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 371 | 4 | 1 | 4 | 2.6 | CCOC(=O)N1C2CCC1CC(N1CC[C@@H](NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 137701968 | 164845 | 4 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4238059 | 164845 | 4 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145960540 | 161091 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cc(F)ccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130089 | 161091 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 5 | 2 | 6 | 3.2 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2cc(F)ccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 44158142 | 188085 | 40 | None | -1 | 4 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| CHEMBL503735 | 188085 | 40 | None | -1 | 4 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| 70683564 | 73961 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 359 | 5 | 1 | 4 | 2.4 | CCOC(=O)N1CC[C@H]2[C@@H](CCCN2CCNC(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024327 | 73961 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 359 | 5 | 1 | 4 | 2.4 | CCOC(=O)N1CC[C@H]2[C@@H](CCCN2CCNC(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.03.088 | ||
| 44158142 | 188085 | 40 | None | -1 | 4 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL503735 | 188085 | 40 | None | -1 | 4 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 71555066 | 140433 | 12 | None | -1 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 322 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823130 | 140433 | 12 | None | -1 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 322 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1 | 10.1016/j.bmcl.2016.04.083 | ||
| 71540493 | 85927 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.9 | Cn1cc(-c2ccc(CN3C(=O)CSc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313515 | 85927 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.9 | Cn1cc(-c2ccc(CN3C(=O)CSc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 54585945 | 61456 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 7 | 1 | 8 | 3.8 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cnn(C)c4)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1773099 | 61456 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 7 | 1 | 8 | 3.8 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cnn(C)c4)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 146216756 | 185707 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 3.2 | Cc1nn(C)cc1-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4874253 | 185707 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 3.2 | Cc1nn(C)cc1-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1 | 10.1016/j.bmcl.2021.128193 | ||
| 137701968 | 164845 | 4 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4238059 | 164845 | 4 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145985065 | 165177 | 0 | None | -2 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4246159 | 165177 | 0 | None | -2 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 71540493 | 85927 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.9 | Cn1cc(-c2ccc(CN3C(=O)CSc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313515 | 85927 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.9 | Cn1cc(-c2ccc(CN3C(=O)CSc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 145985065 | 165177 | 0 | None | -2 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4246159 | 165177 | 0 | None | -2 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 44589595 | 184738 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 458 | 4 | 1 | 5 | 3.0 | O=c1[nH]c2ccc(F)cc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL485953 | 184738 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 458 | 4 | 1 | 5 | 3.0 | O=c1[nH]c2ccc(F)cc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 10220392 | 204287 | 0 | None | 6 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL84893 | 204287 | 0 | None | 6 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71540148 | 85921 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 3.5 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313498 | 85921 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 3.5 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 71540267 | 85922 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 419 | 4 | 1 | 4 | 4.0 | CCn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313499 | 85922 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 419 | 4 | 1 | 4 | 4.0 | CCn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 71540148 | 85921 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 3.5 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313498 | 85921 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 3.5 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 71540267 | 85922 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 419 | 4 | 1 | 4 | 4.0 | CCn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313499 | 85922 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 419 | 4 | 1 | 4 | 4.0 | CCn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 10027177 | 181895 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 4.7 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL478662 | 181895 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 4.7 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 145968533 | 164416 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 408 | 6 | 3 | 7 | 1.2 | O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)cc2)c(CO)cn1 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4225344 | 164416 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 408 | 6 | 3 | 7 | 1.2 | O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)cc2)c(CO)cn1 | 10.1016/j.bmcl.2018.04.054 | ||
| 145968558 | 164461 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 3.4 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc([N+]3([O-])C=CC=N3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4225950 | 164461 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 3.4 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc([N+]3([O-])C=CC=N3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| 117937642 | 122454 | 0 | None | -3 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 447 | 5 | 2 | 6 | 3.7 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608413 | 122454 | 0 | None | -3 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 447 | 5 | 2 | 6 | 3.7 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 122186860 | 122461 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 432 | 5 | 2 | 8 | 1.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cn2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608420 | 122461 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 432 | 5 | 2 | 8 | 1.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cn2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 9937709 | 33875 | 0 | None | -239 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 560 | 17 | 0 | 10 | 6.2 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL142538 | 33875 | 0 | None | -239 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 560 | 17 | 0 | 10 | 6.2 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 162656728 | 180259 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 415 | 6 | 1 | 6 | 3.2 | Cn1cc(-c2ccc(Cc3cc(C(=O)NCC4CCCO4)nn4cccc34)cc2)cn1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4757070 | 180259 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 415 | 6 | 1 | 6 | 3.2 | Cn1cc(-c2ccc(Cc3cc(C(=O)NCC4CCCO4)nn4cccc34)cc2)cn1 | 10.1021/acsmedchemlett.1c00118 | ||
| 44247544 | 49250 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 7 | 1 | 8 | 3.8 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccn(C)n4)c3)c3ccccc23)no1 | nan | ||
| CHEMBL1565295 | 49250 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 7 | 1 | 8 | 3.8 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccn(C)n4)c3)c3ccccc23)no1 | nan | ||
| 145965599 | 163880 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 344 | 2 | 1 | 2 | 4.5 | CC(C)C1C(=S)Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]1[O-] | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4213699 | 163880 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 344 | 2 | 1 | 2 | 4.5 | CC(C)C1C(=S)Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]1[O-] | 10.1016/j.bmcl.2017.11.008 | ||
| 53385783 | 73965 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 3.0 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024332 | 73965 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 3.0 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 46930253 | 16558 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 385 | 6 | 1 | 4 | 2.6 | O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)C1CCCC1 | 10.1021/jm100697g | ||
| CHEMBL1243296 | 16558 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 385 | 6 | 1 | 4 | 2.6 | O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)C1CCCC1 | 10.1021/jm100697g | ||
| 147230103 | 179573 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 323 | 1 | 1 | 3 | 4.8 | CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 | 10.1016/j.bmcl.2021.127911 | ||
| CHEMBL4748915 | 179573 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 323 | 1 | 1 | 3 | 4.8 | CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 | 10.1016/j.bmcl.2021.127911 | ||
| 9912392 | 116179 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 466 | 8 | 0 | 10 | 4.1 | CN1CCC=C(c2nsnc2SCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL337131 | 116179 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 466 | 8 | 0 | 10 | 4.1 | CN1CCC=C(c2nsnc2SCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 290 | 2438 | 4 | None | -7 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| 4022 | 2438 | 4 | None | -7 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| 5926 | 2438 | 4 | None | -7 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL40554 | 2438 | 4 | None | -7 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL74300 | 2438 | 4 | None | -7 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| 73672762 | 111532 | 0 | None | -3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 436 | 4 | 0 | 6 | 2.1 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.083 | ||
| CHEMBL3289440 | 111532 | 0 | None | -3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 436 | 4 | 0 | 6 | 2.1 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.083 | ||
| 139413966 | 163418 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 344 | 3 | 1 | 3 | 4.3 | COC(C)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4207900 | 163418 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 344 | 3 | 1 | 3 | 4.3 | COC(C)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 146216716 | 185094 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 463 | 5 | 0 | 6 | 4.1 | Cn1cc2c(-c3cc(F)c(CN4Cc5cn(CC6CCCO6)nc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4865056 | 185094 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 463 | 5 | 0 | 6 | 4.1 | Cn1cc2c(-c3cc(F)c(CN4Cc5cn(CC6CCCO6)nc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 44579417 | 186398 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 424 | 4 | 1 | 4 | 4.3 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL490597 | 186398 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 424 | 4 | 1 | 4 | 4.3 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 146216708 | 184186 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 424 | 5 | 0 | 5 | 3.9 | Cc1cc(-c2cc(F)c(CN3Cc4cnn(CC5CCCO5)c4C3=O)c(F)c2)ccn1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4851192 | 184186 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 424 | 5 | 0 | 5 | 3.9 | Cc1cc(-c2cc(F)c(CN3Cc4cnn(CC5CCCO5)c4C3=O)c(F)c2)ccn1 | 10.1016/j.bmcl.2021.128193 | ||
| 122189496 | 122820 | 0 | None | 4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 499 | 5 | 2 | 3 | 5.4 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616500 | 122820 | 0 | None | 4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 499 | 5 | 2 | 3 | 5.4 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 146487777 | 180951 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 469 | 6 | 3 | 6 | 3.1 | NC(=O)c1cncc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)c1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4765183 | 180951 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 469 | 6 | 3 | 6 | 3.1 | NC(=O)c1cncc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)c1 | 10.1021/acsmedchemlett.1c00118 | ||
| 145983789 | 165101 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 5 | 2 | 6 | 4.3 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCCC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4244259 | 165101 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 5 | 2 | 6 | 4.3 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCCC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 70683569 | 73998 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 375 | 7 | 2 | 5 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccc(OC)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024422 | 73998 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 375 | 7 | 2 | 5 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccc(OC)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 76313420 | 102797 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 337 | 6 | 2 | 4 | 1.7 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)C1CCCC1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084454 | 102797 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 337 | 6 | 2 | 4 | 1.7 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)C1CCCC1 | 10.1016/j.bmcl.2012.03.088 | ||
| 44589646 | 186047 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.9 | O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL487986 | 186047 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.9 | O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 145983789 | 165101 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 5 | 2 | 6 | 4.3 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCCC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4244259 | 165101 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 5 | 2 | 6 | 4.3 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCCC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 126492033 | 160877 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 435 | 4 | 2 | 5 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(C(F)(F)F)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126902 | 160877 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 435 | 4 | 2 | 5 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(C(F)(F)F)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118724603 | 115956 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccnc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360945 | 115956 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccnc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 11535022 | 11702 | 0 | None | -14791 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 574 | 13 | 0 | 3 | 4.8 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1CCCC1=O | 10.1021/jm050769s | ||
| CHEMBL1181943 | 11702 | 0 | None | -14791 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 574 | 13 | 0 | 3 | 4.8 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1CCCC1=O | 10.1021/jm050769s | ||
| CHEMBL199636 | 11702 | 0 | None | -14791 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 574 | 13 | 0 | 3 | 4.8 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1CCCC1=O | 10.1021/jm050769s | ||
| 118724603 | 115956 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccnc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360945 | 115956 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccnc4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 5377745 | 163685 | 3 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 266 | 1 | 1 | 2 | 3.6 | Cc1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4211235 | 163685 | 3 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 266 | 1 | 1 | 2 | 3.6 | Cc1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| 126492033 | 160877 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 435 | 4 | 2 | 5 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(C(F)(F)F)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4126902 | 160877 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 435 | 4 | 2 | 5 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(C(F)(F)F)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 127038319 | 136472 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.6 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-c3cncnc3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3745962 | 136472 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.6 | O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-c3cncnc3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 187 | 253 | 34 | None | -10 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 294 | 253 | 34 | None | -10 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 65 | 253 | 34 | None | -10 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 8593 | 253 | 34 | None | -10 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| CHEMBL667 | 253 | 34 | None | -10 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| DB03128 | 253 | 34 | None | -10 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 44247542 | 61491 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 487 | 6 | 1 | 6 | 4.2 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1773272 | 61491 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 487 | 6 | 1 | 6 | 4.2 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 118724602 | 115955 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccn4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360944 | 115955 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccn4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 162669110 | 182011 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 421 | 5 | 2 | 6 | 3.0 | Cc1c(Cc2ccc(-c3cocn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4788101 | 182011 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 421 | 5 | 2 | 6 | 3.0 | Cc1c(Cc2ccc(-c3cocn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C | 10.1021/acs.jmedchem.6b00544 | ||
| 145982857 | 165245 | 0 | None | -2 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248057 | 165245 | 0 | None | -2 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145962138 | 160885 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 5 | 2 | 6 | 2.3 | CN(C)c1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127118 | 160885 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 5 | 2 | 6 | 2.3 | CN(C)c1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 145962138 | 160885 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 5 | 2 | 6 | 2.3 | CN(C)c1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127118 | 160885 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 410 | 5 | 2 | 6 | 2.3 | CN(C)c1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118724602 | 115955 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccn4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360944 | 115955 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 394 | 4 | 0 | 5 | 4.4 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccn4)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| 46891141 | 6484 | 0 | None | 251 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 5 | 2 | 2 | 4.5 | CC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083002 | 6484 | 0 | None | 251 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 5 | 2 | 2 | 4.5 | CC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46891030 | 6518 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083109 | 6518 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2010.04.128 | ||
| 122191007 | 123099 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 5 | 2 | 3 | 4.5 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618449 | 123099 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 5 | 2 | 3 | 4.5 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 162646270 | 179059 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 392 | 5 | 2 | 6 | 2.0 | Cc1ncc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4742964 | 179059 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 392 | 5 | 2 | 6 | 2.0 | Cc1ncc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| 146216712 | 185015 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 437 | 6 | 0 | 6 | 3.5 | COCCn1ncc2c1C(=O)N(Cc1c(F)cc(-c3cccc4nn(C)cc34)cc1F)C2 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4863755 | 185015 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 437 | 6 | 0 | 6 | 3.5 | COCCn1ncc2c1C(=O)N(Cc1c(F)cc(-c3cccc4nn(C)cc34)cc1F)C2 | 10.1016/j.bmcl.2021.128193 | ||
| 146216726 | 184917 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 377 | 3 | 0 | 4 | 4.6 | Cn1cc2c(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4862413 | 184917 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 377 | 3 | 0 | 4 | 4.6 | Cn1cc2c(-c3ccc(CN4Cc5sccc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 46890911 | 7312 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 5 | 1 | 2 | 4.4 | CC(=O)N(Cc1ccccc1-c1cccc(Cl)c1)CC1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1086479 | 7312 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 5 | 1 | 2 | 4.4 | CC(=O)N(Cc1ccccc1-c1cccc(Cl)c1)CC1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| 44204999 | 63486 | 6 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 369 | 6 | 1 | 4 | 3.6 | O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 | 10.1021/ml100105x | ||
| CHEMBL1802360 | 63486 | 6 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 369 | 6 | 1 | 4 | 3.6 | O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 | 10.1021/ml100105x | ||
| 71540384 | 85924 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 387 | 3 | 1 | 4 | 3.4 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313507 | 85924 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 387 | 3 | 1 | 4 | 3.4 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 145976302 | 163094 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 328 | 2 | 1 | 2 | 5.0 | CC(C)[C@@H]1N=C(c2ccccc2)c2ccc(Cl)cc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4204098 | 163094 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 328 | 2 | 1 | 2 | 5.0 | CC(C)[C@@H]1N=C(c2ccccc2)c2ccc(Cl)cc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 44157160 | 178206 | 2 | None | -2 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 333 | 2 | 0 | 2 | 3.3 | O=C1C(=O)N(Cc2ccc(Br)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| CHEMBL468925 | 178206 | 2 | None | -2 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 333 | 2 | 0 | 2 | 3.3 | O=C1C(=O)N(Cc2ccc(Br)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| 44303323 | 162691 | 0 | None | 4 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL418491 | 162691 | 0 | None | 4 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 10019339 | 102153 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL304247 | 102153 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 145969714 | 164503 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 436 | 6 | 3 | 7 | 1.7 | Cn1c(CO)c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c1=O | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4226420 | 164503 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 436 | 6 | 3 | 7 | 1.7 | Cn1c(CO)c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c1=O | 10.1016/j.bmcl.2018.04.054 | ||
| 145983485 | 164929 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240041 | 164929 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145982857 | 165245 | 0 | None | -2 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248057 | 165245 | 0 | None | -2 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 44204999 | 63486 | 6 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 369 | 6 | 1 | 4 | 3.6 | O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 | 10.1021/jm200371q | ||
| CHEMBL1802360 | 63486 | 6 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 369 | 6 | 1 | 4 | 3.6 | O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 | 10.1021/jm200371q | ||
| 68634 | 75999 | 29 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 337 | 5 | 1 | 4 | 3.0 | O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059304 | 75999 | 29 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 337 | 5 | 1 | 4 | 3.0 | O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 1726 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 71540384 | 85924 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 387 | 3 | 1 | 4 | 3.4 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313507 | 85924 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 387 | 3 | 1 | 4 | 3.4 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 146487737 | 179238 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 400 | 6 | 2 | 5 | 3.5 | CC(C)(O)CNC(=O)c1cc(Cc2ccc(-c3ccncc3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4745001 | 179238 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 400 | 6 | 2 | 5 | 3.5 | CC(C)(O)CNC(=O)c1cc(Cc2ccc(-c3ccncc3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| 334 | 234 | 21 | None | 24 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 10.1016/j.bmcl.2012.03.088 | ||
| 9928284 | 234 | 21 | None | 24 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2022960 | 234 | 21 | None | 24 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 10.1016/j.bmcl.2012.03.088 | ||
| 146487795 | 179421 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 440 | 5 | 2 | 5 | 4.3 | Cc1cccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)n1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4747042 | 179421 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 440 | 5 | 2 | 5 | 4.3 | Cc1cccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)n1 | 10.1021/acsmedchemlett.1c00118 | ||
| 145983485 | 164929 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240041 | 164929 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)cn1 | 10.1021/acsmedchemlett.8b00261 | ||
| 10027177 | 181895 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 4.7 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL478662 | 181895 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 4.7 | O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 70687825 | 73960 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 331 | 6 | 2 | 4 | 1.4 | CCOC(=O)N1C[C@H]2C(NCCNC(=O)c3ccccc3C)[C@H]2C1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024326 | 73960 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 331 | 6 | 2 | 4 | 1.4 | CCOC(=O)N1C[C@H]2C(NCCNC(=O)c3ccccc3C)[C@H]2C1 | 10.1016/j.bmcl.2012.03.088 | ||
| 44589596 | 191938 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 474 | 4 | 1 | 5 | 3.5 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL521030 | 191938 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 474 | 4 | 1 | 5 | 3.5 | O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 139414075 | 163885 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 334 | 2 | 1 | 2 | 5.5 | CC(C)[C@@H]1N=C(C2CCCCC2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4213762 | 163885 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 334 | 2 | 1 | 2 | 5.5 | CC(C)[C@@H]1N=C(C2CCCCC2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 139414129 | 163005 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4203058 | 163005 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 122191004 | 122817 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 521 | 7 | 3 | 4 | 4.7 | COc1ccc(CCN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616497 | 122817 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 521 | 7 | 3 | 4 | 4.7 | COc1ccc(CCN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 127049132 | 140461 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 4.1 | Cn1cc2c(-c3cc(F)c(CN4CCc5ncccc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823474 | 140461 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 4.1 | Cn1cc2c(-c3cc(F)c(CN4CCc5ncccc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 44350994 | 116316 | 0 | None | -54 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL337925 | 116316 | 0 | None | -54 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 127049132 | 140461 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 4.1 | Cn1cc2c(-c3cc(F)c(CN4CCc5ncccc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823474 | 140461 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 4.1 | Cn1cc2c(-c3cc(F)c(CN4CCc5ncccc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 10403330 | 17147 | 3 | None | -61 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125732 | 17147 | 3 | None | -61 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 62705507 | 76016 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 424 | 5 | 1 | 5 | 2.9 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059322 | 76016 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 424 | 5 | 1 | 5 | 2.9 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 70692024 | 73997 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.8 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccc(Cl)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024421 | 73997 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.8 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccc(Cl)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 10962438 | 118669 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 452 | 7 | 0 | 10 | 3.7 | CN1CCC=C(c2nsnc2SCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL343055 | 118669 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 452 | 7 | 0 | 10 | 3.7 | CN1CCC=C(c2nsnc2SCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 44589643 | 186045 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 518 | 4 | 1 | 5 | 3.6 | O=c1[nH]c2cc(Br)ccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL487984 | 186045 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 518 | 4 | 1 | 5 | 3.6 | O=c1[nH]c2cc(Br)ccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 54583035 | 61462 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 493 | 7 | 2 | 7 | 3.9 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3F)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1773114 | 61462 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 493 | 7 | 2 | 7 | 3.9 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3F)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 1979 | 76973 | 66 | None | -30 | 7 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL20835 | 76973 | 66 | None | -30 | 7 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 118663155 | 3017 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| 9228 | 3017 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4097569 | 3017 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| 5378491 | 163713 | 2 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 297 | 2 | 1 | 4 | 3.2 | O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4211633 | 163713 | 2 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 297 | 2 | 1 | 4 | 3.2 | O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| 289 | 240 | 6 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 9948320 | 240 | 6 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| CHEMBL1242950 | 240 | 6 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 127039039 | 136498 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 415 | 5 | 2 | 6 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)c1nn(Cc2ccc(-n3cccn3)cc2)c2ccccc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3746322 | 136498 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 415 | 5 | 2 | 6 | 3.3 | O=C(N[C@H]1CCCC[C@@H]1O)c1nn(Cc2ccc(-n3cccn3)cc2)c2ccccc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 44206959 | 16552 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 6 | 1 | 4 | 2.0 | CC(C)C(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243233 | 16552 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 6 | 1 | 4 | 2.0 | CC(C)C(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 44303294 | 199471 | 0 | None | 3 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 377 | 3 | 0 | 5 | 3.3 | Fc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60331 | 199471 | 0 | None | 3 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 377 | 3 | 0 | 5 | 3.3 | Fc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| 76324306 | 102792 | 0 | None | 61 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084449 | 102792 | 0 | None | 61 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| 122186857 | 122457 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 463 | 5 | 2 | 7 | 2.9 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@]4(C)O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608416 | 122457 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 463 | 5 | 2 | 7 | 2.9 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@]4(C)O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 70689860 | 73958 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 377 | 6 | 2 | 4 | 2.6 | CCOC(=O)N1[C@H]2CC[C@@H]1CC(NCCNC(=O)c1ccc(C)c(F)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024324 | 73958 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 377 | 6 | 2 | 4 | 2.6 | CCOC(=O)N1[C@H]2CC[C@@H]1CC(NCCNC(=O)c1ccc(C)c(F)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 137284323 | 184270 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 341 | 1 | 1 | 3 | 4.9 | CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2021.127911 | ||
| CHEMBL4852403 | 184270 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 341 | 1 | 1 | 3 | 4.9 | CN1CC=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2021.127911 | ||
| 9990434 | 105858 | 0 | None | -1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL313918 | 105858 | 0 | None | -1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 117680178 | 140405 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 3 | 0 | 5 | 4.3 | Cn1cc2c(-c3cc(F)c(Cn4cnc5ccccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3822763 | 140405 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 3 | 0 | 5 | 4.3 | Cn1cc2c(-c3cc(F)c(Cn4cnc5ccccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 86298473 | 140494 | 0 | None | -2 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823885 | 140494 | 0 | None | -2 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 9154093 | 48314 | 10 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 393 | 4 | 0 | 4 | 5.0 | Cc1ccc(C)c(Cn2nc3c4ccccc4n(Cc4ccccc4)cc-3c2=O)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL1556989 | 48314 | 10 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 393 | 4 | 0 | 4 | 5.0 | Cc1ccc(C)c(Cn2nc3c4ccccc4n(Cc4ccccc4)cc-3c2=O)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 117937665 | 136475 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 374 | 4 | 2 | 5 | 3.0 | N#Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc32)cc1 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3745995 | 136475 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 374 | 4 | 2 | 5 | 3.0 | N#Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc32)cc1 | 10.1016/j.bmcl.2015.11.053 | ||
| 145960766 | 161080 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccc3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130009 | 161080 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccc3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 117680178 | 140405 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 3 | 0 | 5 | 4.3 | Cn1cc2c(-c3cc(F)c(Cn4cnc5ccccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3822763 | 140405 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 3 | 0 | 5 | 4.3 | Cn1cc2c(-c3cc(F)c(Cn4cnc5ccccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 86298473 | 140494 | 0 | None | -2 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823885 | 140494 | 0 | None | -2 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 71540148 | 85921 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 3.5 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313498 | 85921 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 3.5 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 44186798 | 16539 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 405 | 7 | 1 | 3 | 3.2 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243110 | 16539 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 405 | 7 | 1 | 3 | 3.2 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 135409468 | 2004 | 63 | None | 3 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1016/j.bmcl.2021.127911 | ||
| 333 | 2004 | 63 | None | 3 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1016/j.bmcl.2021.127911 | ||
| CHEMBL845 | 2004 | 63 | None | 3 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1016/j.bmcl.2021.127911 | ||
| 122191001 | 123094 | 0 | None | 7 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1cccc(F)c1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618444 | 123094 | 0 | None | 7 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1cccc(F)c1 | 10.1016/j.bmcl.2015.08.011 | ||
| 134817226 | 164683 | 3 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 3.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@@H]4CCCC[C@H]4O)c4c(F)cc(F)cc43)cn2)cn1 | 10.1021/acs.jmedchem.7b01812 | ||
| CHEMBL4229203 | 164683 | 3 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 3.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@@H]4CCCC[C@H]4O)c4c(F)cc(F)cc43)cn2)cn1 | 10.1021/acs.jmedchem.7b01812 | ||
| 71540148 | 85921 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 3.5 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313498 | 85921 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 3.5 | Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 10800287 | 19232 | 0 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 243 | 6 | 1 | 6 | 1.5 | CCCCOc1nsnc1OC1CCNC1 | 10.1021/jm970125n | ||
| CHEMBL129474 | 19232 | 0 | None | -20 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 243 | 6 | 1 | 6 | 1.5 | CCCCOc1nsnc1OC1CCNC1 | 10.1021/jm970125n | ||
| 145985721 | 164984 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 430 | 6 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC[C@@H]4CCCO4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4241339 | 164984 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 430 | 6 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC[C@@H]4CCCO4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145985738 | 165057 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 3.3 | Cn1ccc2c(Cc3ccc(-n4cccn4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4243017 | 165057 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 3.3 | Cn1ccc2c(Cc3ccc(-n4cccn4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 86298474 | 140426 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 3 | 0 | 5 | 4.3 | Cn1cc2c(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823059 | 140426 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 3 | 0 | 5 | 4.3 | Cn1cc2c(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 46929966 | 16531 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 423 | 7 | 1 | 3 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3cc(F)ccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243043 | 16531 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 423 | 7 | 1 | 3 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3cc(F)ccc32)CC1 | 10.1021/jm100697g | ||
| 122189495 | 122819 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 445 | 5 | 2 | 3 | 4.7 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616499 | 122819 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 445 | 5 | 2 | 3 | 4.7 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 44578978 | 181005 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 4 | 1 | 5 | 3.5 | N#Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL476990 | 181005 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 4 | 1 | 5 | 3.5 | N#Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 145985721 | 164984 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 430 | 6 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC[C@@H]4CCCO4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4241339 | 164984 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 430 | 6 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC[C@@H]4CCCO4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145985738 | 165057 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 3.3 | Cn1ccc2c(Cc3ccc(-n4cccn4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4243017 | 165057 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 5 | 1 | 6 | 3.3 | Cn1ccc2c(Cc3ccc(-n4cccn4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 86298474 | 140426 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 3 | 0 | 5 | 4.3 | Cn1cc2c(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823059 | 140426 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 402 | 3 | 0 | 5 | 4.3 | Cn1cc2c(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 146216713 | 184869 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 327 | 3 | 0 | 4 | 3.4 | Cn1cc(-c2ccc(CN3Cc4ccsc4C3=O)c(F)c2)cn1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4861665 | 184869 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 327 | 3 | 0 | 4 | 3.4 | Cn1cc(-c2ccc(CN3Cc4ccsc4C3=O)c(F)c2)cn1 | 10.1016/j.bmcl.2021.128193 | ||
| 16071018 | 15878 | 15 | None | 56 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223753 | 15878 | 15 | None | 56 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 16123945 | 80049 | 8 | None | 125 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| CHEMBL2146599 | 80049 | 8 | None | 125 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| 139414161 | 163749 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 316 | 2 | 1 | 2 | 5.3 | CCC1CN(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4212168 | 163749 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 316 | 2 | 1 | 2 | 5.3 | CCC1CN(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 9809330 | 115499 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| CHEMBL335542 | 115499 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| 46891594 | 6409 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1cc(F)ccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1082679 | 6409 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1cc(F)ccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46890963 | 6943 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 342 | 4 | 1 | 2 | 3.8 | CN(C(=O)Cc1ccccc1-c1cccc(Cl)c1)C1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1084805 | 6943 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 342 | 4 | 1 | 2 | 3.8 | CN(C(=O)Cc1ccccc1-c1cccc(Cl)c1)C1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46890976 | 6949 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1ccccc1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1084819 | 6949 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1ccccc1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| 289 | 240 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 9948320 | 240 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| CHEMBL1242950 | 240 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 127038680 | 136567 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 401 | 6 | 2 | 6 | 2.9 | O=C(NCC1(O)CCC1)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3747287 | 136567 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 401 | 6 | 2 | 6 | 2.9 | O=C(NCC1(O)CCC1)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 145960766 | 161080 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccc3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130009 | 161080 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccc3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 46873656 | 67923 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 351 | 4 | 1 | 4 | 2.4 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)C3CCCC3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916235 | 67923 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 351 | 4 | 1 | 4 | 2.4 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)C3CCCC3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 16094793 | 82909 | 0 | None | 12 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| CHEMBL219118 | 82909 | 0 | None | 12 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| 46891021 | 6583 | 0 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 391 | 3 | 1 | 4 | 5.3 | Fc1cccc(-c2cc(Cl)ccc2Cl)c1-c1nc(C2CCNCC2)no1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083403 | 6583 | 0 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 391 | 3 | 1 | 4 | 5.3 | Fc1cccc(-c2cc(Cl)ccc2Cl)c1-c1nc(C2CCNCC2)no1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46890960 | 7108 | 0 | None | 3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 328 | 4 | 2 | 2 | 3.6 | O=C(NCc1ccccc1-c1cccc(Cl)c1)C1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1085556 | 7108 | 0 | None | 3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 328 | 4 | 2 | 2 | 3.6 | O=C(NCc1ccccc1-c1cccc(Cl)c1)C1CCNCC1 | 10.1016/j.bmcl.2010.04.127 | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 46891592 | 6339 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1cccc(F)c1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1082362 | 6339 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1cccc(F)c1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 10376012 | 58425 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 216 | 2 | 0 | 3 | 1.1 | CC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168561 | 58425 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 216 | 2 | 0 | 3 | 1.1 | CC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 122190994 | 123087 | 0 | None | 14 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 481 | 4 | 3 | 3 | 5.1 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618436 | 123087 | 0 | None | 14 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 481 | 4 | 3 | 3 | 5.1 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 46929967 | 16532 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 423 | 7 | 1 | 3 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3ccc(F)cc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243044 | 16532 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 423 | 7 | 1 | 3 | 3.3 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3ccc(F)cc32)CC1 | 10.1021/jm100697g | ||
| 117937652 | 122458 | 0 | None | -1 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608417 | 122458 | 0 | None | -1 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 44590187 | 188891 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 418 | 3 | 1 | 4 | 3.6 | Cc1cccc(C(=O)N2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)c1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL513765 | 188891 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 418 | 3 | 1 | 4 | 3.6 | Cc1cccc(C(=O)N2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)c1 | 10.1016/j.bmcl.2008.09.032 | ||
| 44241485 | 61461 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 6 | 1 | 6 | 4.2 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3F)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1773112 | 61461 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 6 | 1 | 6 | 4.2 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3F)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 10399393 | 204072 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL83074 | 204072 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 145970895 | 164542 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 3 | 7 | 1.4 | Cc1cnc(C(=O)N[C@H]2CCOC(O)[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4227175 | 164542 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 3 | 7 | 1.4 | Cc1cnc(C(=O)N[C@H]2CCOC(O)[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| 71540490 | 85926 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 337 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2ccc(CN3C(=O)COc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313512 | 85926 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 337 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2ccc(CN3C(=O)COc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 12947027 | 164264 | 3 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 320 | 1 | 1 | 2 | 4.3 | FC(F)(F)c1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4218606 | 164264 | 3 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 320 | 1 | 1 | 2 | 4.3 | FC(F)(F)c1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| 44158139 | 178127 | 0 | None | -1 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| CHEMBL468290 | 178127 | 0 | None | -1 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| 146216748 | 184306 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 476 | 6 | 0 | 6 | 4.0 | Cn1cc2c(-c3cc(F)c(CN4Cc5cn(CCN6CCCC6)nc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4852902 | 184306 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 476 | 6 | 0 | 6 | 4.0 | Cn1cc2c(-c3cc(F)c(CN4Cc5cn(CCN6CCCC6)nc5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 71540490 | 85926 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 337 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2ccc(CN3C(=O)COc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313512 | 85926 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 337 | 3 | 0 | 4 | 3.2 | Cn1cc(-c2ccc(CN3C(=O)COc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 139414066 | 164095 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 328 | 2 | 1 | 2 | 5.0 | CC(C)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4216528 | 164095 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 328 | 2 | 1 | 2 | 5.0 | CC(C)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 2157612 | 19381 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 427 | 6 | 1 | 6 | 3.5 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1300017 | 19381 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 427 | 6 | 1 | 6 | 3.5 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 127050846 | 140510 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cnc2ccc(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cc21 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3824092 | 140510 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cnc2ccc(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cc21 | 10.1016/j.bmcl.2016.04.083 | ||
| 86298473 | 140494 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823885 | 140494 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 127050846 | 140510 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cnc2ccc(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cc21 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3824092 | 140510 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cnc2ccc(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cc21 | 10.1016/j.bmcl.2016.04.083 | ||
| 2157612 | 19381 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 427 | 6 | 1 | 6 | 3.5 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1 | nan | ||
| CHEMBL1300017 | 19381 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 427 | 6 | 1 | 6 | 3.5 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1 | nan | ||
| 21262774 | 118001 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 329 | 8 | 1 | 3 | 4.3 | CCCCCCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1021/jm500860w | ||
| CHEMBL3414845 | 118001 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 329 | 8 | 1 | 3 | 4.3 | CCCCCCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1021/jm500860w | ||
| 44475946 | 61459 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 4.4 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3cc(F)cc(F)c23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1773110 | 61459 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 4.4 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3cc(F)cc(F)c23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 44157241 | 188598 | 2 | None | -1 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 301 | 3 | 0 | 3 | 3.1 | COc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c32)cc1 | 10.1021/jm900286j | ||
| CHEMBL511254 | 188598 | 2 | None | -1 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 301 | 3 | 0 | 3 | 3.1 | COc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c32)cc1 | 10.1021/jm900286j | ||
| 71737672 | 2539 | 14 | None | -8 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 8687 | 2539 | 14 | None | -8 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329755 | 2539 | 14 | None | -8 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 70683567 | 73994 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 343 | 6 | 2 | 3 | 2.2 | CC(C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024412 | 73994 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 343 | 6 | 2 | 3 | 2.2 | CC(C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 145982518 | 164880 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 458 | 5 | 1 | 7 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOC(C)(C)C4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4238850 | 164880 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 458 | 5 | 1 | 7 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOC(C)(C)C4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 124203829 | 136546 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)cc2)n1 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3747016 | 136546 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)cc2)n1 | 10.1016/j.bmcl.2015.11.053 | ||
| 124203829 | 136546 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)cc2)n1 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL3747016 | 136546 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)cc2)n1 | 10.1016/j.bmcl.2018.04.054 | ||
| 145982518 | 164880 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 458 | 5 | 1 | 7 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOC(C)(C)C4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4238850 | 164880 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 458 | 5 | 1 | 7 | 3.6 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOC(C)(C)C4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 139414144 | 163608 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 266 | 1 | 1 | 2 | 3.7 | CC1N=C(c2ccccc2)c2ccccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4210331 | 163608 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 266 | 1 | 1 | 2 | 3.7 | CC1N=C(c2ccccc2)c2ccccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 146216739 | 185854 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 436 | 6 | 1 | 5 | 3.9 | Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(CCCO)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4876330 | 185854 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 436 | 6 | 1 | 5 | 3.9 | Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(CCCO)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 139414014 | 163242 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 324 | 3 | 1 | 3 | 4.3 | COc1ccc2c(c1)C(c1ccccc1)=N[C@@H](C(C)C)C(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4205971 | 163242 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 324 | 3 | 1 | 3 | 4.3 | COc1ccc2c(c1)C(c1ccccc1)=N[C@@H](C(C)C)C(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| 46929969 | 16535 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 8 | 1 | 4 | 3.2 | COc1ccc2c(c1)CCC(=O)N2CCCN1CCC(NC(=O)Cc2ccccc2)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243075 | 16535 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 8 | 1 | 4 | 3.2 | COc1ccc2c(c1)CCC(=O)N2CCCN1CCC(NC(=O)Cc2ccccc2)CC1 | 10.1021/jm100697g | ||
| 145983366 | 165298 | 0 | None | 1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248900 | 165298 | 0 | None | 1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 71540385 | 85925 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)CCc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313508 | 85925 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)CCc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 2230 | 461 | 55 | None | -3 | 9 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | ||
| 296 | 461 | 55 | None | -3 | 9 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL7303 | 461 | 55 | None | -3 | 9 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | ||
| DB04365 | 461 | 55 | None | -3 | 9 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | ||
| 145983366 | 165298 | 0 | None | 1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248900 | 165298 | 0 | None | 1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145984661 | 164827 | 0 | None | -8 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4237601 | 164827 | 0 | None | -8 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 145984661 | 164827 | 0 | None | -8 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4237601 | 164827 | 0 | None | -8 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 71540385 | 85925 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)CCc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL2313508 | 85925 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)CCc4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 118729452 | 117344 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 226 | 3 | 0 | 4 | 1.8 | CSCC1CC(C2=CCCN(C)C2)=NO1 | 10.1016/j.bmcl.2015.02.012 | ||
| CHEMBL3402918 | 117344 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 226 | 3 | 0 | 4 | 1.8 | CSCC1CC(C2=CCCN(C)C2)=NO1 | 10.1016/j.bmcl.2015.02.012 | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| 3652 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| 57 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| 60809 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| CHEMBL21536 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| DB15357 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| 118732889 | 120354 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 533 | 10 | 1 | 6 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414838 | 120354 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 533 | 10 | 1 | 6 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559073 | 120354 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 533 | 10 | 1 | 6 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| 70691923 | 73826 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 352 | 5 | 2 | 4 | 1.9 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1CCCCC1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2022942 | 73826 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 352 | 5 | 2 | 4 | 1.9 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1CCCCC1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 10929712 | 33457 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 480 | 9 | 0 | 10 | 4.5 | CN1CCC=C(c2nsnc2SCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL142184 | 33457 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 480 | 9 | 0 | 10 | 4.5 | CN1CCC=C(c2nsnc2SCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 145982815 | 165132 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 442 | 5 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4245109 | 165132 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 442 | 5 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 122190999 | 123092 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 507 | 6 | 3 | 4 | 4.7 | COc1ccccc1CN/C(C)=N/c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618442 | 123092 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 507 | 6 | 3 | 4 | 4.7 | COc1ccccc1CN/C(C)=N/c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | ||
| 145984808 | 165231 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 446 | 5 | 2 | 8 | 1.8 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4247625 | 165231 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 446 | 5 | 2 | 8 | 1.8 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145984808 | 165231 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 446 | 5 | 2 | 8 | 1.8 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4247625 | 165231 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 446 | 5 | 2 | 8 | 1.8 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145982815 | 165132 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 442 | 5 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4245109 | 165132 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 442 | 5 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 117937644 | 122455 | 0 | None | -2 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608414 | 122455 | 0 | None | -2 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 449 | 5 | 2 | 7 | 2.5 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 118732901 | 120352 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414844 | 120352 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559052 | 120352 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O | 10.1021/jm500860w | ||
| 44129591 | 35234 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1438248 | 35234 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 44129591 | 35234 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1 | nan | ||
| CHEMBL1438248 | 35234 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1 | nan | ||
| 10946670 | 188587 | 2 | None | -1 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 305 | 2 | 0 | 2 | 3.4 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21 | 10.1021/jm900286j | ||
| CHEMBL511206 | 188587 | 2 | None | -1 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 305 | 2 | 0 | 2 | 3.4 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21 | 10.1021/jm900286j | ||
| 118124164 | 160958 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 406 | 6 | 2 | 6 | 2.5 | CC(C)(O)CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4128118 | 160958 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 406 | 6 | 2 | 6 | 2.5 | CC(C)(O)CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 53385782 | 73964 | 0 | None | 56 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024331 | 73964 | 0 | None | 56 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 11813912 | 118234 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 508 | 11 | 0 | 10 | 5.3 | CN1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL341759 | 118234 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 508 | 11 | 0 | 10 | 5.3 | CN1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 10375322 | 58422 | 0 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 192 | 2 | 0 | 3 | 1.1 | CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168545 | 58422 | 0 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 192 | 2 | 0 | 3 | 1.1 | CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 62707610 | 76001 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 404 | 5 | 1 | 4 | 3.3 | O=C1CCc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059306 | 76001 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 404 | 5 | 1 | 4 | 3.3 | O=C1CCc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 10092649 | 192471 | 51 | None | -2 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| CHEMBL522460 | 192471 | 51 | None | -2 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| 46873657 | 67913 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 391 | 4 | 1 | 4 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(F)cc3C)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916225 | 67913 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 391 | 4 | 1 | 4 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(F)cc3C)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 145982857 | 165245 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248057 | 165245 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 118663155 | 3017 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| 9228 | 3017 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4097569 | 3017 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| 145982857 | 165245 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248057 | 165245 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.4 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 118732903 | 118002 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 673 | 14 | 2 | 7 | 7.2 | CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O | 10.1021/jm500860w | ||
| CHEMBL3414847 | 118002 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 673 | 14 | 2 | 7 | 7.2 | CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O | 10.1021/jm500860w | ||
| 44251556 | 6531 | 7 | None | -1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL1083203 | 6531 | 7 | None | -1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 145984970 | 164934 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 441 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240142 | 164934 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 441 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 44251556 | 6531 | 7 | None | -1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| CHEMBL1083203 | 6531 | 7 | None | -1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2012.11.092 | ||
| 145984970 | 164934 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 441 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240142 | 164934 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 441 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 3008304 | 3960 | 48 | None | -1 | 4 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm900286j | ||
| 7632 | 3960 | 48 | None | -1 | 4 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm900286j | ||
| CHEMBL523685 | 3960 | 48 | None | -1 | 4 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm900286j | ||
| 44207909 | 16520 | 1 | None | 13 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL1242923 | 16520 | 1 | None | 13 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 44207909 | 16520 | 1 | None | 13 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1242923 | 16520 | 1 | None | 13 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 44303327 | 162461 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.5 | C(#Cc1ccccc1)CSc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| CHEMBL417560 | 162461 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.5 | C(#Cc1ccccc1)CSc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| 3008304 | 3960 | 48 | None | -1 | 4 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2009.11.089 | ||
| 7632 | 3960 | 48 | None | -1 | 4 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL523685 | 3960 | 48 | None | -1 | 4 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2009.11.089 | ||
| 117686130 | 140483 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 400 | 3 | 0 | 5 | 4.3 | O=c1c2ccncc2ncn1Cc1c(F)cc(-c2ccc3cnccc3c2)cc1F | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823781 | 140483 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 400 | 3 | 0 | 5 | 4.3 | O=c1c2ccncc2ncn1Cc1c(F)cc(-c2ccc3cnccc3c2)cc1F | 10.1016/j.bmcl.2016.04.083 | ||
| 3008304 | 3960 | 48 | None | -1 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2010.08.042 | ||
| 7632 | 3960 | 48 | None | -1 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL523685 | 3960 | 48 | None | -1 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2010.08.042 | ||
| 117686130 | 140483 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 400 | 3 | 0 | 5 | 4.3 | O=c1c2ccncc2ncn1Cc1c(F)cc(-c2ccc3cnccc3c2)cc1F | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823781 | 140483 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 400 | 3 | 0 | 5 | 4.3 | O=c1c2ccncc2ncn1Cc1c(F)cc(-c2ccc3cnccc3c2)cc1F | 10.1016/j.bmcl.2016.04.083 | ||
| 145976328 | 163122 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 308 | 2 | 1 | 2 | 4.6 | Cc1ccc2c(c1)C(c1ccccc1)=NC(C(C)C)C(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4204668 | 163122 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 308 | 2 | 1 | 2 | 4.6 | Cc1ccc2c(c1)C(c1ccccc1)=NC(C(C)C)C(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| 70685669 | 73959 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 330 | 6 | 2 | 4 | 2.3 | COC(=O)C12CCC(NCCNC(=O)c3ccccc3)(CC1)CC2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024325 | 73959 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 330 | 6 | 2 | 4 | 2.3 | COC(=O)C12CCC(NCCNC(=O)c3ccccc3)(CC1)CC2 | 10.1016/j.bmcl.2012.03.088 | ||
| 10657039 | 117014 | 0 | None | -32 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 229 | 6 | 1 | 6 | 1.1 | CCCCOc1nsnc1OC1CNC1 | 10.1021/jm970125n | ||
| CHEMBL340021 | 117014 | 0 | None | -32 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 229 | 6 | 1 | 6 | 1.1 | CCCCOc1nsnc1OC1CNC1 | 10.1021/jm970125n | ||
| 44158077 | 178022 | 0 | None | -1 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| CHEMBL467281 | 178022 | 0 | None | -1 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| 127038324 | 136561 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 417 | 5 | 2 | 7 | 2.2 | O=C(N[C@H]1CCOC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3747166 | 136561 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 417 | 5 | 2 | 7 | 2.2 | O=C(N[C@H]1CCOC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 145970252 | 164617 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 436 | 5 | 3 | 7 | 1.5 | Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCC(O)C[C@@H]2O)c(=O)n1C | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4228299 | 164617 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 436 | 5 | 3 | 7 | 1.5 | Cc1c(Cc2ccc(-n3cccn3)cc2)cc(C(=O)N[C@H]2CCC(O)C[C@@H]2O)c(=O)n1C | 10.1016/j.bmcl.2018.04.054 | ||
| 9913341 | 81746 | 3 | None | -630 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL216927 | 81746 | 3 | None | -630 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL553058 | 81746 | 3 | None | -630 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 46891020 | 6582 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 363 | 5 | 1 | 3 | 4.2 | O=S(=O)(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083402 | 6582 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 363 | 5 | 1 | 3 | 4.2 | O=S(=O)(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46890715 | 6587 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1c(Cl)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083414 | 6587 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 362 | 4 | 2 | 2 | 4.4 | O=C(NCC1CCNCC1)c1c(Cl)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46891488 | 7094 | 0 | None | 63 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 328 | 4 | 2 | 2 | 3.7 | O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1085507 | 7094 | 0 | None | 63 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 328 | 4 | 2 | 2 | 3.7 | O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| 46891144 | 7191 | 0 | None | 19 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 364 | 4 | 2 | 2 | 4.0 | O=C(NCC1(F)CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1085985 | 7191 | 0 | None | 19 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 364 | 4 | 2 | 2 | 4.0 | O=C(NCC1(F)CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 16038385 | 80048 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 301 | 2 | 1 | 4 | 2.1 | O=c1[nH]c2ccccc2n1C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL2146598 | 80048 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 301 | 2 | 1 | 4 | 2.1 | O=c1[nH]c2ccccc2n1C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| 118732891 | 120356 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 593 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414839 | 120356 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 593 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559122 | 120356 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 593 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| 122186857 | 122457 | 0 | None | -1 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 463 | 5 | 2 | 7 | 2.9 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@]4(C)O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608416 | 122457 | 0 | None | -1 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 463 | 5 | 2 | 7 | 2.9 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@]4(C)O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 306 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 3536 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 53930639 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 9577995 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL134641 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 118124055 | 160932 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 418 | 5 | 1 | 6 | 2.9 | O=C(NC1CCOCC1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127777 | 160932 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 418 | 5 | 1 | 6 | 2.9 | O=C(NC1CCOCC1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118724593 | 115951 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.8 | O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1cccnc1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360935 | 115951 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.8 | O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1cccnc1 | 10.1016/j.bmcl.2014.11.011 | ||
| 118724593 | 115951 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.8 | O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1cccnc1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360935 | 115951 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.8 | O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1cccnc1 | 10.1016/j.bmcl.2014.11.011 | ||
| 118124164 | 160958 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 406 | 6 | 2 | 6 | 2.5 | CC(C)(O)CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4128118 | 160958 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 406 | 6 | 2 | 6 | 2.5 | CC(C)(O)CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 146216740 | 184705 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 462 | 5 | 0 | 5 | 4.7 | Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(CC6CCCO6)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4859124 | 184705 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 462 | 5 | 0 | 5 | 4.7 | Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(CC6CCCO6)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 139424615 | 163483 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 4.6 | CC(=O)OC1C=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4208761 | 163483 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 4.6 | CC(=O)OC1C=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 127042162 | 136601 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 417 | 5 | 3 | 6 | 2.4 | O=C(N[C@H]1CCOC[C@@H]1O)c1cn(Cc2ccc(-c3cc[nH]n3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3747781 | 136601 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 417 | 5 | 3 | 6 | 2.4 | O=C(N[C@H]1CCOC[C@@H]1O)c1cn(Cc2ccc(-c3cc[nH]n3)cc2)c2cccnc12 | 10.1016/j.bmcl.2015.11.053 | ||
| 2551 | 782 | 23 | None | -15 | 12 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -15 | 12 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -15 | 12 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -15 | 12 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -15 | 12 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 44589531 | 184984 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 519 | 4 | 2 | 5 | 5.3 | O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL486331 | 184984 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 519 | 4 | 2 | 5 | 5.3 | O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 44129593 | 61490 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 439 | 7 | 1 | 7 | 3.4 | COc1cccc(Cn2cc(S(=O)(=O)CC(=O)Nc3cc(C)on3)c3ccccc32)c1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1773270 | 61490 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 439 | 7 | 1 | 7 | 3.4 | COc1cccc(Cn2cc(S(=O)(=O)CC(=O)Nc3cc(C)on3)c3ccccc32)c1 | 10.1016/j.bmcl.2010.12.015 | ||
| 118724596 | 115952 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccc4F)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360938 | 115952 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccc4F)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 62705508 | 76017 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 5 | 1 | 5 | 2.9 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059323 | 76017 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 5 | 1 | 5 | 2.9 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 145983366 | 165298 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248900 | 165298 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145983366 | 165298 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248900 | 165298 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 429 | 5 | 1 | 6 | 3.5 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145960736 | 161042 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.8 | Cc1ccn(-c2ccc(CN3CC(C(=O)N[C@H]4CCCC[C@@H]4O)Oc4ccccc43)cn2)n1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4129373 | 161042 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.8 | Cc1ccn(-c2ccc(CN3CC(C(=O)N[C@H]4CCCC[C@@H]4O)Oc4ccccc43)cn2)n1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118724596 | 115952 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccc4F)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360938 | 115952 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 411 | 4 | 0 | 4 | 5.2 | Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccc4F)cc-3c2=O)c(C)c1 | 10.1016/j.bmcl.2014.11.011 | ||
| 118124055 | 160932 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 418 | 5 | 1 | 6 | 2.9 | O=C(NC1CCOCC1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127777 | 160932 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 418 | 5 | 1 | 6 | 2.9 | O=C(NC1CCOCC1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 3652 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 57 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 60809 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL21536 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| DB15357 | 4034 | 72 | None | -21 | 9 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 11120503 | 4131 | 0 | None | 16 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL100163 | 4131 | 0 | None | 16 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 145960736 | 161042 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.8 | Cc1ccn(-c2ccc(CN3CC(C(=O)N[C@H]4CCCC[C@@H]4O)Oc4ccccc43)cn2)n1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4129373 | 161042 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 447 | 5 | 2 | 7 | 2.8 | Cc1ccn(-c2ccc(CN3CC(C(=O)N[C@H]4CCCC[C@@H]4O)Oc4ccccc43)cn2)n1 | 10.1016/j.bmcl.2018.05.009 | ||
| 145962688 | 161108 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 2.9 | C=Cc1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130322 | 161108 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 2.9 | C=Cc1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 62705334 | 76011 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 3.5 | O=C1CCc2c(F)cccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059317 | 76011 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 3.5 | O=C1CCc2c(F)cccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 146216741 | 185823 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 463 | 5 | 0 | 6 | 4.1 | Cn1cc2cccc(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)c2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4876000 | 185823 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 463 | 5 | 0 | 6 | 4.1 | Cn1cc2cccc(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)c2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 76335137 | 102796 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 352 | 5 | 2 | 4 | 1.6 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)N1CCCCC1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084453 | 102796 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 352 | 5 | 2 | 4 | 1.6 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)N1CCCCC1 | 10.1016/j.bmcl.2012.03.088 | ||
| 46872062 | 67919 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 365 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)C3CCCCC3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916231 | 67919 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 365 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)C3CCCCC3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 118110250 | 160925 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 427 | 5 | 2 | 7 | 3.4 | O=C(Nc1ncccc1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127668 | 160925 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 427 | 5 | 2 | 7 | 3.4 | O=C(Nc1ncccc1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 129456 | 205443 | 11 | None | -8 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| CHEMBL92421 | 205443 | 11 | None | -8 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| 10451242 | 201424 | 0 | None | 3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 361 | 3 | 0 | 5 | 2.8 | Fc1cc(F)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL64029 | 201424 | 0 | None | 3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 361 | 3 | 0 | 5 | 2.8 | Fc1cc(F)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 9809330 | 115499 | 0 | None | -39 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| CHEMBL335542 | 115499 | 0 | None | -39 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| 42598829 | 15904 | 0 | None | 50 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223806 | 15904 | 0 | None | 50 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 16071018 | 15878 | 15 | None | 56 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL1223753 | 15878 | 15 | None | 56 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| 145969027 | 164491 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 5 | 3 | 7 | 1.8 | Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cc(O)cn2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4226316 | 164491 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 5 | 3 | 7 | 1.8 | Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cc(O)cn2)cc1 | 10.1016/j.bmcl.2018.04.054 | ||
| 139413979 | 164243 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 328 | 2 | 1 | 2 | 5.0 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4218339 | 164243 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 328 | 2 | 1 | 2 | 5.0 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 44303286 | 199633 | 0 | None | -4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL60419 | 199633 | 0 | None | -4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1016/s0960-894x(98)00509-5 | ||
| 44303286 | 199633 | 0 | None | -4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| CHEMBL60419 | 199633 | 0 | None | -4 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| 145962688 | 161108 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 2.9 | C=Cc1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130322 | 161108 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 2.9 | C=Cc1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118124048 | 161089 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 433 | 5 | 2 | 7 | 2.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130072 | 161089 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 433 | 5 | 2 | 7 | 2.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118124052 | 160937 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 4 | 2 | 5 | 2.9 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(Cl)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127828 | 160937 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 4 | 2 | 5 | 2.9 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(Cl)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 44158221 | 171542 | 0 | None | -3 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 389 | 3 | 0 | 3 | 4.3 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| CHEMBL447265 | 171542 | 0 | None | -3 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 389 | 3 | 0 | 3 | 4.3 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| 139414110 | 163787 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 362 | 2 | 1 | 2 | 5.3 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(C(F)(F)F)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4212541 | 163787 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 362 | 2 | 1 | 2 | 5.3 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(C(F)(F)F)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 44303019 | 100479 | 0 | None | -7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL294082 | 100479 | 0 | None | -7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 122186860 | 122461 | 0 | None | -2 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 432 | 5 | 2 | 8 | 1.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cn2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608420 | 122461 | 0 | None | -2 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 432 | 5 | 2 | 8 | 1.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cn2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 122186858 | 122459 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 405 | 4 | 2 | 7 | 1.9 | Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)ccc21 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608418 | 122459 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 405 | 4 | 2 | 7 | 1.9 | Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)ccc21 | 10.1021/acsmedchemlett.5b00185 | ||
| 117937675 | 122456 | 0 | None | -2 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.1 | Cn1cc(-c2ccc(Cn3nc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608415 | 122456 | 0 | None | -2 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.1 | Cn1cc(-c2ccc(Cn3nc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 118110250 | 160925 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 427 | 5 | 2 | 7 | 3.4 | O=C(Nc1ncccc1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127668 | 160925 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 427 | 5 | 2 | 7 | 3.4 | O=C(Nc1ncccc1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 44589502 | 185793 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 472 | 3 | 1 | 4 | 4.6 | O=C(c1cccc(Cl)c1)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL487558 | 185793 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 472 | 3 | 1 | 4 | 4.6 | O=C(c1cccc(Cl)c1)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 5487543 | 203933 | 4 | None | -14 | 6 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm9910019 | ||
| CHEMBL81878 | 203933 | 4 | None | -14 | 6 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm9910019 | ||
| 13248082 | 187037 | 4 | None | -1 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 367 | 2 | 0 | 2 | 4.0 | O=C1C(=O)N(Cc2ccc(Br)cc2F)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| CHEMBL494846 | 187037 | 4 | None | -1 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 367 | 2 | 0 | 2 | 4.0 | O=C1C(=O)N(Cc2ccc(Br)cc2F)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| 9936450 | 34929 | 0 | None | 27 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143469 | 34929 | 0 | None | 27 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 289 | 240 | 6 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 9948320 | 240 | 6 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| CHEMBL1242950 | 240 | 6 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 62705176 | 76005 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 406 | 5 | 1 | 5 | 2.8 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL2059311 | 76005 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 406 | 5 | 1 | 5 | 2.8 | O=C1COc2ccccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 10.1016/j.bmcl.2012.05.048 | ||
| 145961132 | 161016 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 446 | 5 | 2 | 6 | 3.5 | CC1(C(=O)N[C@H]2CCCC[C@@H]2O)CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4128854 | 161016 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 446 | 5 | 2 | 6 | 3.5 | CC1(C(=O)N[C@H]2CCCC[C@@H]2O)CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 146216781 | 185402 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 476 | 6 | 0 | 6 | 4.0 | Cn1cc2c(-c3cc(F)c(CN4Cc5cnn(CCN6CCCC6)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4869976 | 185402 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 476 | 6 | 0 | 6 | 4.0 | Cn1cc2c(-c3cc(F)c(CN4Cc5cnn(CCN6CCCC6)c5C4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 289 | 240 | 6 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 9948320 | 240 | 6 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| CHEMBL1242950 | 240 | 6 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 146552409 | 182204 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 426 | 5 | 2 | 5 | 4.0 | O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cc2ccc(-c3cccnc3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4790436 | 182204 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 426 | 5 | 2 | 5 | 4.0 | O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cc2ccc(-c3cccnc3)cc2)c2cccn2n1 | 10.1021/acsmedchemlett.1c00118 | ||
| 118729453 | 117345 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 191 | 1 | 0 | 4 | 0.9 | CN1CCC=C(C2=NOC(C#N)C2)C1 | 10.1016/j.bmcl.2015.02.012 | ||
| CHEMBL3402919 | 117345 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 191 | 1 | 0 | 4 | 0.9 | CN1CCC=C(C2=NOC(C#N)C2)C1 | 10.1016/j.bmcl.2015.02.012 | ||
| 134399485 | 164999 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.2 | Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4241778 | 164999 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.2 | Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 145984556 | 165222 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4247253 | 165222 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145982648 | 165293 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.0 | Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)co1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248863 | 165293 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.0 | Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)co1 | 10.1021/acsmedchemlett.8b00261 | ||
| 134399485 | 164999 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.2 | Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4241778 | 164999 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.2 | Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NC3CCOCC3)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 145984556 | 165222 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4247253 | 165222 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 2.9 | Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 145982648 | 165293 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.0 | Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)co1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4248863 | 165293 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.0 | Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)co1 | 10.1021/acsmedchemlett.8b00261 | ||
| 118124052 | 160937 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 401 | 4 | 2 | 5 | 2.9 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(Cl)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127828 | 160937 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 401 | 4 | 2 | 5 | 2.9 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(Cl)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 127042162 | 136601 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 417 | 5 | 3 | 6 | 2.4 | O=C(N[C@H]1CCOC[C@@H]1O)c1cn(Cc2ccc(-c3cc[nH]n3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL3747781 | 136601 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 417 | 5 | 3 | 6 | 2.4 | O=C(N[C@H]1CCOC[C@@H]1O)c1cn(Cc2ccc(-c3cc[nH]n3)cc2)c2cccnc12 | 10.1016/j.bmcl.2018.04.054 | ||
| 20918651 | 115950 | 5 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 379 | 4 | 0 | 4 | 4.7 | Cc1ccccc1Cn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360931 | 115950 | 5 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 379 | 4 | 0 | 4 | 4.7 | Cc1ccccc1Cn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O | 10.1016/j.bmcl.2014.11.011 | ||
| 39762 | 163112 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 312 | 2 | 1 | 2 | 4.2 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4204548 | 163112 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 312 | 2 | 1 | 2 | 4.2 | CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O | 10.1016/j.bmcl.2017.11.008 | ||
| 118729456 | 117348 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 164 | 1 | 0 | 3 | 1.4 | CN1CCC=C(c2ccon2)C1 | 10.1016/j.bmcl.2015.02.012 | ||
| CHEMBL3402923 | 117348 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 164 | 1 | 0 | 3 | 1.4 | CN1CCC=C(c2ccon2)C1 | 10.1016/j.bmcl.2015.02.012 | ||
| 118124048 | 161089 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 433 | 5 | 2 | 7 | 2.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4130072 | 161089 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 433 | 5 | 2 | 7 | 2.5 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)nc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 20918651 | 115950 | 5 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 379 | 4 | 0 | 4 | 4.7 | Cc1ccccc1Cn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360931 | 115950 | 5 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 379 | 4 | 0 | 4 | 4.7 | Cc1ccccc1Cn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O | 10.1016/j.bmcl.2014.11.011 | ||
| 11006286 | 31712 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 494 | 10 | 0 | 10 | 4.9 | CN1CCC=C(c2nsnc2SCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL140746 | 31712 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 494 | 10 | 0 | 10 | 4.9 | CN1CCC=C(c2nsnc2SCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 10092649 | 192471 | 51 | None | 2 | 11 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | 2 | 11 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 10092649 | 192471 | 51 | None | 2 | 11 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | 2 | 11 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 10109893 | 81753 | 0 | None | -89 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL216983 | 81753 | 0 | None | -89 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL544840 | 81753 | 0 | None | -89 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| 16094791 | 82844 | 0 | None | 3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL218755 | 82844 | 0 | None | 3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 46891377 | 6332 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 391 | 4 | 2 | 4 | 4.8 | CC1(C)CC(CNC(=O)c2ccccc2-c2nc(Cl)cs2)CC(C)(C)N1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1082342 | 6332 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 391 | 4 | 2 | 4 | 4.8 | CC1(C)CC(CNC(=O)c2ccccc2-c2nc(Cl)cs2)CC(C)(C)N1 | 10.1016/j.bmcl.2010.04.128 | ||
| 118110248 | 160922 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127602 | 160922 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 46890847 | 7279 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 4 | 2 | 2 | 4.3 | O=C(CC1CCNCC1)Nc1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1086299 | 7279 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 4 | 2 | 2 | 4.3 | O=C(CC1CCNCC1)Nc1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 16071018 | 15878 | 15 | None | 56 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/jm200371q | ||
| CHEMBL1223753 | 15878 | 15 | None | 56 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/jm200371q | ||
| 9809330 | 115499 | 0 | None | -39 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL335542 | 115499 | 0 | None | -39 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 122189499 | 122821 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 441 | 3 | 2 | 3 | 4.0 | CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616504 | 122821 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 441 | 3 | 2 | 3 | 4.0 | CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | ||
| 139414008 | 163809 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4212760 | 163809 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 146487675 | 180211 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 429 | 5 | 2 | 6 | 3.4 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)cn1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4756433 | 180211 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 429 | 5 | 2 | 6 | 3.4 | Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nn4cccc34)cc2)cn1 | 10.1021/acsmedchemlett.1c00118 | ||
| 122191006 | 123098 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 523 | 6 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)CCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618448 | 123098 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 523 | 6 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)CCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 164611747 | 184294 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 4.8 | O=C1c2scnc2CN1Cc1c(F)cc(-c2ccc3ncccc3c2)cc1F | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4852711 | 184294 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 393 | 3 | 0 | 4 | 4.8 | O=C1c2scnc2CN1Cc1c(F)cc(-c2ccc3ncccc3c2)cc1F | 10.1016/j.bmcl.2021.128193 | ||
| 70692025 | 74001 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.4 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccc(F)c(F)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024425 | 74001 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.4 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccc(F)c(F)c1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 118123942 | 160970 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 381 | 4 | 2 | 5 | 2.6 | Cc1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4128285 | 160970 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 381 | 4 | 2 | 5 | 2.6 | Cc1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 118724605 | 115958 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 423 | 5 | 0 | 5 | 5.0 | COc1ccc(Cn2cc3c(=O)n(Cc4ccc(C)cc4C)nc-3c3ccccc32)cc1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360947 | 115958 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 423 | 5 | 0 | 5 | 5.0 | COc1ccc(Cn2cc3c(=O)n(Cc4ccc(C)cc4C)nc-3c3ccccc32)cc1 | 10.1016/j.bmcl.2014.11.011 | ||
| 71792 | 77998 | 32 | None | -1 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL2111051 | 77998 | 32 | None | -1 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| 118724605 | 115958 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 423 | 5 | 0 | 5 | 5.0 | COc1ccc(Cn2cc3c(=O)n(Cc4ccc(C)cc4C)nc-3c3ccccc32)cc1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360947 | 115958 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 423 | 5 | 0 | 5 | 5.0 | COc1ccc(Cn2cc3c(=O)n(Cc4ccc(C)cc4C)nc-3c3ccccc32)cc1 | 10.1016/j.bmcl.2014.11.011 | ||
| 1476756 | 200304 | 62 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01812 | ||
| CHEMBL608112 | 200304 | 62 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b01812 | ||
| 70687830 | 74000 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 363 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024424 | 74000 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 363 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 44251556 | 6531 | 7 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL1083203 | 6531 | 7 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2014.11.011 | ||
| 44251556 | 6531 | 7 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| CHEMBL1083203 | 6531 | 7 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| 2166 | 3074 | 46 | None | -25 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 305 | 3074 | 46 | None | -25 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 5910 | 3074 | 46 | None | -25 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| CHEMBL550 | 3074 | 46 | None | -25 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| DB01085 | 3074 | 46 | None | -25 | 8 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 1476756 | 200304 | 62 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500860w | ||
| CHEMBL608112 | 200304 | 62 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500860w | ||
| 122191000 | 123093 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 507 | 6 | 3 | 4 | 4.7 | COc1ccc(CN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618443 | 123093 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 507 | 6 | 3 | 4 | 4.7 | COc1ccc(CN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 53385783 | 73965 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 3.0 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024332 | 73965 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 3.0 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 44251556 | 6531 | 7 | None | -1 | 3 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | nan | ||
| CHEMBL1083203 | 6531 | 7 | None | -1 | 3 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | nan | ||
| 118724589 | 115948 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 526 | 7 | 1 | 9 | 3.5 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(-c4cnn(C)c4)nc3)c3cc(F)cc(F)c23)no1 | 10.1016/j.bmcl.2014.11.011 | ||
| CHEMBL3360927 | 115948 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 526 | 7 | 1 | 9 | 3.5 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(-c4cnn(C)c4)nc3)c3cc(F)cc(F)c23)no1 | 10.1016/j.bmcl.2014.11.011 | ||
| 1476756 | 200304 | 62 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1016/j.bmcl.2010.01.109 | ||
| CHEMBL608112 | 200304 | 62 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1016/j.bmcl.2010.01.109 | ||
| 118123942 | 160970 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 381 | 4 | 2 | 5 | 2.6 | Cc1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4128285 | 160970 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 381 | 4 | 2 | 5 | 2.6 | Cc1ccc(CN2CC(C(=O)N[C@H]3CCCC[C@@H]3O)Oc3ccccc32)cn1 | 10.1016/j.bmcl.2018.05.009 | ||
| 11056389 | 188799 | 0 | None | -1 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| CHEMBL512977 | 188799 | 0 | None | -1 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| 44208358 | 16521 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 2.2 | CC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1242924 | 16521 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 2.2 | CC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 | 10.1021/jm100697g | ||
| 44251555 | 6532 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.1 | Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| CHEMBL1083204 | 6532 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.1 | Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2010.01.109 | ||
| 122191002 | 123095 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccccc1F | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618445 | 123095 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccccc1F | 10.1016/j.bmcl.2015.08.011 | ||
| 12612376 | 162960 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 298 | 2 | 1 | 3 | 4.0 | CSc1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4202501 | 162960 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 298 | 2 | 1 | 3 | 4.0 | CSc1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 | 10.1016/j.bmcl.2017.11.008 | ||
| 2166 | 3074 | 46 | None | -25 | 8 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| 305 | 3074 | 46 | None | -25 | 8 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| 5910 | 3074 | 46 | None | -25 | 8 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL550 | 3074 | 46 | None | -25 | 8 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| DB01085 | 3074 | 46 | None | -25 | 8 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| 10093490 | 178445 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 418 | 3 | 1 | 4 | 3.6 | Cc1ccccc1C(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL471213 | 178445 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 418 | 3 | 1 | 4 | 3.6 | Cc1ccccc1C(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 44251555 | 6532 | 0 | None | -1 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.1 | Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | nan | ||
| CHEMBL1083204 | 6532 | 0 | None | -1 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 353 | 3 | 0 | 4 | 3.1 | Cn1cc(-c2cc(F)c(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | nan | ||
| 127038316 | 136501 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 429 | 5 | 2 | 6 | 3.5 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)cc2)n1 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3746377 | 136501 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 429 | 5 | 2 | 6 | 3.5 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)cc2)n1 | 10.1016/j.bmcl.2015.11.053 | ||
| 145984661 | 164827 | 0 | None | 8 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4237601 | 164827 | 0 | None | 8 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 57391102 | 67912 | 2 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL1916224 | 67912 | 2 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 | 10.1016/j.bmcl.2012.03.088 | ||
| 46872060 | 67918 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C)cc3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916230 | 67918 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C)cc3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 10397133 | 106579 | 1 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL315676 | 106579 | 1 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 11600184 | 12197 | 0 | None | -8128 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 574 | 14 | 0 | 5 | 5.2 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOc1ccon1 | 10.1021/jm050769s | ||
| CHEMBL1184960 | 12197 | 0 | None | -8128 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 574 | 14 | 0 | 5 | 5.2 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOc1ccon1 | 10.1021/jm050769s | ||
| CHEMBL380572 | 12197 | 0 | None | -8128 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 574 | 14 | 0 | 5 | 5.2 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOc1ccon1 | 10.1021/jm050769s | ||
| 46930341 | 16570 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 361 | 6 | 1 | 3 | 2.5 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)ccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243357 | 16570 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 361 | 6 | 1 | 3 | 2.5 | CCC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)ccc32)CC1 | 10.1021/jm100697g | ||
| 127042161 | 136535 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.7 | Cc1ccnc2c(C(=O)N[C@H]3CCOC[C@@H]3O)cn(Cc3ccc(-c4ccn(C)n4)cc3)c12 | 10.1016/j.bmcl.2015.11.053 | ||
| CHEMBL3746869 | 136535 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 2.7 | Cc1ccnc2c(C(=O)N[C@H]3CCOC[C@@H]3O)cn(Cc3ccc(-c4ccn(C)n4)cc3)c12 | 10.1016/j.bmcl.2015.11.053 | ||
| 44303397 | 101818 | 0 | None | 5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL303360 | 101818 | 0 | None | 5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 122186862 | 122463 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 408 | 5 | 3 | 6 | 1.3 | CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc32)cc1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608422 | 122463 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 408 | 5 | 3 | 6 | 1.3 | CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc32)cc1 | 10.1021/acsmedchemlett.5b00185 | ||
| 117937642 | 122454 | 0 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 447 | 5 | 2 | 6 | 3.7 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| CHEMBL3608413 | 122454 | 0 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 447 | 5 | 2 | 6 | 3.7 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 | 10.1021/acsmedchemlett.5b00185 | ||
| 129456 | 205443 | 11 | None | -8 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| CHEMBL92421 | 205443 | 11 | None | -8 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| 145984661 | 164827 | 0 | None | 8 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4237601 | 164827 | 0 | None | 8 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 448 | 5 | 2 | 7 | 3.2 | Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 | 10.1021/acsmedchemlett.8b00261 | ||
| 145985917 | 164947 | 0 | None | -2 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240517 | 164947 | 0 | None | -2 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 46930170 | 16543 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 7 | 0 | 4 | 3.0 | CN(C(=O)Cc1ccccc1)C1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243168 | 16543 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 7 | 0 | 4 | 3.0 | CN(C(=O)Cc1ccccc1)C1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 44590189 | 188677 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 472 | 3 | 1 | 4 | 4.3 | O=C(c1ccccc1C(F)(F)F)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL511833 | 188677 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 472 | 3 | 1 | 4 | 4.3 | O=C(c1ccccc1C(F)(F)F)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 2157678 | 49183 | 11 | None | 2 | 2 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1 | nan | ||
| CHEMBL1564753 | 49183 | 11 | None | 2 | 2 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1 | nan | ||
| 76313419 | 102790 | 0 | None | 69 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084447 | 102790 | 0 | None | 69 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1 | 10.1016/j.bmcl.2012.03.088 | ||
| 118663151 | 180607 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 390 | 5 | 2 | 5 | 3.2 | Cc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4761072 | 180607 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 390 | 5 | 2 | 5 | 3.2 | Cc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1 | 10.1021/acs.jmedchem.6b00544 | ||
| 10984923 | 31778 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 536 | 13 | 0 | 10 | 6.1 | CN1CCC=C(c2nsnc2SCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL140789 | 31778 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 536 | 13 | 0 | 10 | 6.1 | CN1CCC=C(c2nsnc2SCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 118110248 | 160922 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| CHEMBL4127602 | 160922 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 432 | 5 | 2 | 6 | 3.1 | O=C(N[C@H]1CCCC[C@@H]1O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 | 10.1016/j.bmcl.2018.05.009 | ||
| 44589501 | 185791 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 438 | 3 | 1 | 4 | 3.9 | O=C(c1cccc(Cl)c1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL487557 | 185791 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 438 | 3 | 1 | 4 | 3.9 | O=C(c1cccc(Cl)c1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 145985917 | 164947 | 0 | None | -2 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| CHEMBL4240517 | 164947 | 0 | None | -2 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nc4c3ccn4C)cn2)n1 | 10.1021/acsmedchemlett.8b00261 | ||
| 76324306 | 102792 | 0 | None | 61 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084449 | 102792 | 0 | None | 61 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| 162662699 | 181409 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 440 | 5 | 2 | 5 | 4.3 | Cc1cccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nn4cccc34)cc2)n1 | 10.1021/acsmedchemlett.1c00118 | ||
| CHEMBL4780441 | 181409 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 440 | 5 | 2 | 5 | 4.3 | Cc1cccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCCC[C@H]4O)nn4cccc34)cc2)n1 | 10.1021/acsmedchemlett.1c00118 | ||
| 46872061 | 67921 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 389 | 5 | 1 | 5 | 2.5 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(OC)cc3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| CHEMBL1916233 | 67921 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 389 | 5 | 1 | 5 | 2.5 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(OC)cc3)C2)CC1 | 10.1016/j.bmcl.2011.08.084 | ||
| 44589645 | 186046 | 0 | None | -5 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 537 | 4 | 2 | 5 | 5.4 | O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL487985 | 186046 | 0 | None | -5 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 537 | 4 | 2 | 5 | 5.4 | O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 5379120 | 163321 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 330 | 1 | 1 | 2 | 4.0 | S=C1CN=C(c2ccccc2)c2cc(Br)ccc2N1 | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4206863 | 163321 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 330 | 1 | 1 | 2 | 4.0 | S=C1CN=C(c2ccccc2)c2cc(Br)ccc2N1 | 10.1016/j.bmcl.2017.11.008 | ||
| 44207909 | 16520 | 1 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1242923 | 16520 | 1 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 53303986 | 73992 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024408 | 73992 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 46930249 | 16547 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 8 | 1 | 4 | 3.0 | O=C(CCc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1243201 | 16547 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 421 | 8 | 1 | 4 | 3.0 | O=C(CCc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 53382542 | 85886 | 0 | None | -12 | 6 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313377 | 85886 | 0 | None | -12 | 6 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 2157678 | 49183 | 11 | None | 2 | 2 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| CHEMBL1564753 | 49183 | 11 | None | 2 | 2 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1 | 10.1016/j.bmcl.2010.12.015 | ||
| 145968975 | 164386 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 461 | 6 | 3 | 8 | 1.9 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4nc(CO)ccc43)cc2)n1 | 10.1016/j.bmcl.2018.04.054 | ||
| CHEMBL4224803 | 164386 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 461 | 6 | 3 | 8 | 1.9 | Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4nc(CO)ccc43)cc2)n1 | 10.1016/j.bmcl.2018.04.054 | ||
| 146216711 | 186022 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 379 | 3 | 0 | 4 | 4.3 | Cn1cc2cc(-c3cc(F)c(CN4Cc5occc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| CHEMBL4878839 | 186022 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 379 | 3 | 0 | 4 | 4.3 | Cn1cc2cc(-c3cc(F)c(CN4Cc5occc5C4=O)c(F)c3)ccc2n1 | 10.1016/j.bmcl.2021.128193 | ||
| 44372591 | 54060 | 0 | None | 60 | 2 | Human | 9.4 | pED50 | = | 9.4 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL160858 | 54060 | 0 | None | 60 | 2 | Human | 9.4 | pED50 | = | 9.4 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44213237 | 101451 | 0 | None | - | 0 | Human | 8.9 | pED50 | = | 8.9 | Functional | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL300998 | 101451 | 0 | None | - | 0 | Human | 8.9 | pED50 | = | 8.9 | Functional | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 44372232 | 119315 | 0 | None | - | 0 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL348412 | 119315 | 0 | None | - | 0 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372580 | 119276 | 0 | None | - | 0 | Human | 7.9 | pED50 | = | 7.9 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL348079 | 119276 | 0 | None | - | 0 | Human | 7.9 | pED50 | = | 7.9 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 10420458 | 204545 | 0 | None | -7 | 2 | Human | 7.9 | pED50 | = | 7.9 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL86903 | 204545 | 0 | None | -7 | 2 | Human | 7.9 | pED50 | = | 7.9 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 9903828 | 118988 | 0 | None | -28 | 2 | Human | 6.9 | pED50 | = | 6.9 | Functional | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL345415 | 118988 | 0 | None | -28 | 2 | Human | 6.9 | pED50 | = | 6.9 | Functional | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| 44372289 | 118971 | 0 | None | 2 | 2 | Human | 6.8 | pED50 | = | 6.8 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL345250 | 118971 | 0 | None | 2 | 2 | Human | 6.8 | pED50 | = | 6.8 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372610 | 52263 | 0 | None | -181 | 2 | Human | 6.8 | pED50 | = | 6.8 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL159208 | 52263 | 0 | None | -181 | 2 | Human | 6.8 | pED50 | = | 6.8 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| 10086044 | 48713 | 0 | None | -6 | 2 | Human | 7.7 | pED50 | = | 7.7 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL156050 | 48713 | 0 | None | -6 | 2 | Human | 7.7 | pED50 | = | 7.7 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372253 | 49740 | 0 | None | -21 | 2 | Human | 6.6 | pED50 | = | 6.6 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL156925 | 49740 | 0 | None | -21 | 2 | Human | 6.6 | pED50 | = | 6.6 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| 44372492 | 155183 | 0 | None | - | 0 | Human | 7.5 | pED50 | = | 7.5 | Functional | ChEMBL | 314 | 3 | 0 | 3 | 3.3 | C/C(C#Cc1ccc(Cl)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL405426 | 155183 | 0 | None | - | 0 | Human | 7.5 | pED50 | = | 7.5 | Functional | ChEMBL | 314 | 3 | 0 | 3 | 3.3 | C/C(C#Cc1ccc(Cl)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 10242016 | 167736 | 0 | None | - | 0 | Human | 7.5 | pED50 | = | 7.5 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL434072 | 167736 | 0 | None | - | 0 | Human | 7.5 | pED50 | = | 7.5 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44371814 | 51124 | 0 | None | -3 | 2 | Human | 7.5 | pED50 | = | 7.5 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL158180 | 51124 | 0 | None | -3 | 2 | Human | 7.5 | pED50 | = | 7.5 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372452 | 119118 | 0 | None | - | 0 | Human | 6.4 | pED50 | = | 6.4 | Functional | ChEMBL | 348 | 3 | 0 | 3 | 4.0 | C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL346580 | 119118 | 0 | None | - | 0 | Human | 6.4 | pED50 | = | 6.4 | Functional | ChEMBL | 348 | 3 | 0 | 3 | 4.0 | C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 9795428 | 96041 | 4 | None | 1 | 5 | Human | 7.4 | pED50 | = | 7.4 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL262455 | 96041 | 4 | None | 1 | 5 | Human | 7.4 | pED50 | = | 7.4 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | ||
| 5487543 | 203933 | 4 | None | -14 | 6 | Human | 7.4 | pED50 | = | 7.4 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL81878 | 203933 | 4 | None | -14 | 6 | Human | 7.4 | pED50 | = | 7.4 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 44372290 | 54166 | 0 | None | 5 | 2 | Human | 7.3 | pED50 | = | 7.3 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL160939 | 54166 | 0 | None | 5 | 2 | Human | 7.3 | pED50 | = | 7.3 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372278 | 49145 | 0 | None | -11 | 2 | Human | 7.3 | pED50 | = | 7.3 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL156445 | 49145 | 0 | None | -11 | 2 | Human | 7.3 | pED50 | = | 7.3 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| 44372266 | 54148 | 0 | None | - | 1 | Human | 7.3 | pED50 | = | 7.3 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL160928 | 54148 | 0 | None | - | 1 | Human | 7.3 | pED50 | = | 7.3 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| 10266025 | 119661 | 0 | None | - | 0 | Human | 8.2 | pED50 | = | 8.2 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL351561 | 119661 | 0 | None | - | 0 | Human | 8.2 | pED50 | = | 8.2 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 2551 | 782 | 23 | None | -34 | 12 | Human | 5.2 | pED50 | = | 5.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 298 | 782 | 23 | None | -34 | 12 | Human | 5.2 | pED50 | = | 5.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 488 | 782 | 23 | None | -34 | 12 | Human | 5.2 | pED50 | = | 5.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| CHEMBL965 | 782 | 23 | None | -34 | 12 | Human | 5.2 | pED50 | = | 5.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| DB00411 | 782 | 23 | None | -34 | 12 | Human | 5.2 | pED50 | = | 5.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 44372301 | 49533 | 0 | None | -40 | 2 | Human | 7.1 | pED50 | = | 7.1 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL156749 | 49533 | 0 | None | -40 | 2 | Human | 7.1 | pED50 | = | 7.1 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| 44372647 | 119515 | 0 | None | 1 | 2 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL350223 | 119515 | 0 | None | 1 | 2 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | ||
| 44372633 | 50037 | 0 | None | 1 | 2 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL157197 | 50037 | 0 | None | 1 | 2 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | ||
| 44372506 | 118964 | 0 | None | -19 | 2 | Human | 7.1 | pED50 | = | 7.1 | Functional | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL345205 | 118964 | 0 | None | -19 | 2 | Human | 7.1 | pED50 | = | 7.1 | Functional | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 10058744 | 204657 | 0 | None | -1 | 2 | Human | 7.1 | pED50 | = | 7.1 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL87622 | 204657 | 0 | None | -1 | 2 | Human | 7.1 | pED50 | = | 7.1 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372277 | 167800 | 0 | None | - | 0 | Human | 7.0 | pED50 | = | 7.0 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL434469 | 167800 | 0 | None | - | 0 | Human | 7.0 | pED50 | = | 7.0 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| 152278786 | 182170 | 0 | None | 12 | 4 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4790083 | 182170 | 0 | None | 12 | 4 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 11442478 | 105996 | 0 | None | -1 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085073 | 105996 | 0 | None | -1 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140113 | 105996 | 0 | None | -1 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 152278786 | 182170 | 0 | None | 12 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4790083 | 182170 | 0 | None | 12 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 44590177 | 188335 | 0 | None | -3 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 677 | 12 | 3 | 7 | 5.1 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL507874 | 188335 | 0 | None | -3 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 677 | 12 | 3 | 7 | 5.1 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL554918 | 188335 | 0 | None | -3 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 677 | 12 | 3 | 7 | 5.1 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162676450 | 182915 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@@H]1CN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)C[C@@H](C)N1c1ccc(C#N)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4799613 | 182915 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@@H]1CN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)C[C@@H](C)N1c1ccc(C#N)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 71458776 | 81528 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 322 | 4 | 0 | 2 | 3.2 | CN1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164894 | 81528 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 322 | 4 | 0 | 2 | 3.2 | CN1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71462298 | 81530 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 350 | 5 | 0 | 2 | 4.0 | CC(C)N1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164896 | 81530 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 350 | 5 | 0 | 2 | 4.0 | CC(C)N1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71455111 | 81543 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 322 | 4 | 0 | 2 | 3.2 | CC1CN(C(=O)C(Cc2ccccc2)c2ccccc2)CCN1C | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164916 | 81543 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 322 | 4 | 0 | 2 | 3.2 | CC1CN(C(=O)C(Cc2ccccc2)c2ccccc2)CCN1C | 10.1016/j.bmcl.2012.09.011 | ||
| 44590172 | 169750 | 0 | None | -10 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL444688 | 169750 | 0 | None | -10 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL527216 | 169750 | 0 | None | -10 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590171 | 178171 | 0 | None | -10 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 587 | 10 | 3 | 6 | 4.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL468609 | 178171 | 0 | None | -10 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 587 | 10 | 3 | 6 | 4.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL554632 | 178171 | 0 | None | -10 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 587 | 10 | 3 | 6 | 4.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589585 | 188305 | 0 | None | -50 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 577 | 10 | 4 | 5 | 4.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL507375 | 188305 | 0 | None | -50 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 577 | 10 | 4 | 5 | 4.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555474 | 188305 | 0 | None | -50 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 577 | 10 | 4 | 5 | 4.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 25034111 | 192815 | 0 | None | -63 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL526009 | 192815 | 0 | None | -63 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 44589498 | 172189 | 0 | None | -10 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 572 | 11 | 5 | 7 | 3.8 | O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL451043 | 172189 | 0 | None | -10 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 572 | 11 | 5 | 7 | 3.8 | O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590182 | 182569 | 0 | None | -39 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 532 | 9 | 5 | 7 | 3.0 | COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL479526 | 182569 | 0 | None | -39 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 532 | 9 | 5 | 7 | 3.0 | COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589495 | 185398 | 0 | None | -100 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.8 | CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL486982 | 185398 | 0 | None | -100 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.8 | CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589496 | 185399 | 0 | None | -199 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 560 | 10 | 5 | 7 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL486983 | 185399 | 0 | None | -199 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 560 | 10 | 5 | 7 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590036 | 187793 | 0 | None | -31 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 574 | 10 | 4 | 8 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL501419 | 187793 | 0 | None | -31 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 574 | 10 | 4 | 8 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590035 | 191158 | 0 | None | -19 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3OC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL519760 | 191158 | 0 | None | -19 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3OC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 25034111 | 192815 | 0 | None | -63 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL526009 | 192815 | 0 | None | -63 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162661651 | 180833 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 390 | 5 | 0 | 4 | 3.6 | O=C(CCCc1cccc2ncccc12)N1CC2CC1CN2c1ccc(F)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4763794 | 180833 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 390 | 5 | 0 | 4 | 3.6 | O=C(CCCc1cccc2ncccc12)N1CC2CC1CN2c1ccc(F)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 9990434 | 105858 | 0 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL313918 | 105858 | 0 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44233417 | 85619 | 0 | None | 1 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2307674 | 85619 | 0 | None | 1 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 71462298 | 81530 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 350 | 5 | 0 | 2 | 4.0 | CC(C)N1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164896 | 81530 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 350 | 5 | 0 | 2 | 4.0 | CC(C)N1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71455111 | 81543 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 322 | 4 | 0 | 2 | 3.2 | CC1CN(C(=O)C(Cc2ccccc2)c2ccccc2)CCN1C | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164916 | 81543 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 322 | 4 | 0 | 2 | 3.2 | CC1CN(C(=O)C(Cc2ccccc2)c2ccccc2)CCN1C | 10.1016/j.bmcl.2012.09.011 | ||
| 44233675 | 102903 | 0 | None | 1 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 381 | 5 | 0 | 1 | 6.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084639 | 102903 | 0 | None | 1 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 381 | 5 | 0 | 1 | 6.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 62705831 | 75805 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)ccn1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057775 | 75805 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)ccn1 | 10.1016/j.bmcl.2012.06.018 | ||
| 145971650 | 164100 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 590 | 11 | 2 | 7 | 6.1 | COc1ccc(Cn2cc(C(=O)NCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4216601 | 164100 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 590 | 11 | 2 | 7 | 6.1 | COc1ccc(Cn2cc(C(=O)NCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 62705488 | 75751 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057513 | 75751 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705831 | 75805 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)ccn1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057775 | 75805 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)ccn1 | 10.1016/j.bmcl.2012.06.018 | ||
| 168299773 | 192068 | 0 | None | -10 | 2 | Rat | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)c1Cl | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218711 | 192068 | 0 | None | -10 | 2 | Rat | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)c1Cl | 10.1016/j.bmcl.2022.128988 | ||
| 44247488 | 69774 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 494 | 6 | 1 | 8 | 1.4 | O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(c2ccc(Br)cn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1939968 | 69774 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 494 | 6 | 1 | 8 | 1.4 | O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(c2ccc(Br)cn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| 162657766 | 180462 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 3.2 | N#Cc1cnccc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4759448 | 180462 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 3.2 | N#Cc1cnccc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 149539880 | 182299 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.8 | CC1CN(C(=O)CCCc2cccc3ncccc23)CCN1c1ccc(F)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4791893 | 182299 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.8 | CC1CN(C(=O)CCCc2cccc3ncccc23)CCN1c1ccc(F)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 2986945 | 94612 | 7 | None | 6 | 5 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255169 | 94612 | 7 | None | 6 | 5 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 15681299 | 119973 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 180 | 2 | 0 | 3 | 1.2 | C1CC(O/N=C2\CN3CCC2C3)C1 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL354259 | 119973 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 180 | 2 | 0 | 3 | 1.2 | C1CC(O/N=C2\CN3CCC2C3)C1 | 10.1016/S0960-894X(00)80538-7 | ||
| 71455968 | 83512 | 0 | None | -24 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206599 | 83512 | 0 | None | -24 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 168286427 | 191232 | 0 | None | -1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198797 | 191232 | 0 | None | -1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| 168286427 | 191232 | 0 | None | -1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198797 | 191232 | 0 | None | -1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| 62705488 | 75751 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057513 | 75751 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 145974962 | 164187 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 632 | 14 | 2 | 7 | 7.3 | COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4217617 | 164187 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 632 | 14 | 2 | 7 | 7.3 | COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 44455159 | 97316 | 0 | None | 11 | 5 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL271704 | 97316 | 0 | None | 11 | 5 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 76324336 | 103022 | 0 | None | -1 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085086 | 103022 | 0 | None | -1 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 11510358 | 106002 | 0 | None | 1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 355 | 4 | 0 | 3 | 4.2 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085069 | 106002 | 0 | None | 1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 355 | 4 | 0 | 3 | 4.2 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140143 | 106002 | 0 | None | 1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 355 | 4 | 0 | 3 | 4.2 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 16040727 | 168876 | 0 | None | -2 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 649 | 11 | 3 | 6 | 5.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL442672 | 168876 | 0 | None | -2 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 649 | 11 | 3 | 6 | 5.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL495102 | 168876 | 0 | None | -2 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 649 | 11 | 3 | 6 | 5.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162646559 | 179060 | 0 | None | 19 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4742997 | 179060 | 0 | None | 19 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705154 | 75740 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 390 | 4 | 0 | 7 | -0.2 | Cn1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057500 | 75740 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 390 | 4 | 0 | 7 | -0.2 | Cn1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76327901 | 103020 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085084 | 103020 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| 62705154 | 75740 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 390 | 4 | 0 | 7 | -0.2 | Cn1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057500 | 75740 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 390 | 4 | 0 | 7 | -0.2 | Cn1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76331543 | 103028 | 0 | None | -1 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 362 | 4 | 0 | 4 | 4.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085092 | 103028 | 0 | None | -1 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 362 | 4 | 0 | 4 | 4.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 62705487 | 75750 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 428 | 4 | 0 | 6 | 1.0 | O=C(C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057512 | 75750 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 428 | 4 | 0 | 6 | 1.0 | O=C(C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 44590123 | 183278 | 0 | None | -158 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 564 | 10 | 4 | 6 | 4.3 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL480877 | 183278 | 0 | None | -158 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 564 | 10 | 4 | 6 | 4.3 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590170 | 187787 | 0 | None | -79 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 588 | 10 | 4 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL501348 | 187787 | 0 | None | -79 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 588 | 10 | 4 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL553431 | 187787 | 0 | None | -79 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 588 | 10 | 4 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162656772 | 179786 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4751570 | 179786 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162657766 | 180462 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 3.2 | N#Cc1cnccc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4759448 | 180462 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 3.2 | N#Cc1cnccc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 148859951 | 180752 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.8 | CC1CN(c2ccc(F)cn2)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4762829 | 180752 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.8 | CC1CN(c2ccc(F)cn2)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 149539880 | 182299 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.8 | CC1CN(C(=O)CCCc2cccc3ncccc23)CCN1c1ccc(F)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4791893 | 182299 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.8 | CC1CN(C(=O)CCCc2cccc3ncccc23)CCN1c1ccc(F)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 25034110 | 188180 | 0 | None | -3 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL505453 | 188180 | 0 | None | -3 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 10058347 | 105451 | 0 | None | 2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL312823 | 105451 | 0 | None | 2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44232953 | 102916 | 0 | None | 1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 405 | 7 | 2 | 2 | 4.6 | CCNC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084663 | 102916 | 0 | None | 1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 405 | 7 | 2 | 2 | 4.6 | CCNC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | ||
| 162646559 | 179060 | 0 | None | 19 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4742997 | 179060 | 0 | None | 19 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 71450616 | 83519 | 0 | None | -2 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 591 | 11 | 4 | 5 | 4.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206606 | 83519 | 0 | None | -2 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 591 | 11 | 4 | 5 | 4.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 11602980 | 103027 | 0 | None | -1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 362 | 4 | 0 | 5 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085091 | 103027 | 0 | None | -1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 362 | 4 | 0 | 5 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 62705487 | 75750 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 428 | 4 | 0 | 6 | 1.0 | O=C(C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057512 | 75750 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 428 | 4 | 0 | 6 | 1.0 | O=C(C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 57393065 | 69780 | 0 | None | -1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 425 | 6 | 1 | 6 | 1.6 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL1940125 | 69780 | 0 | None | -1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 425 | 6 | 1 | 6 | 1.6 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705484 | 75748 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 1.1 | O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057509 | 75748 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 1.1 | O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 52176747 | 158485 | 1 | None | -3 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4096727 | 158485 | 1 | None | -3 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 60691 | 101081 | 19 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 251 | 4 | 0 | 3 | 3.7 | CCCN(c1ccncc1)n1ccc2ccccc21 | 10.1021/jm950644v | ||
| CHEMBL29835 | 101081 | 19 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 251 | 4 | 0 | 3 | 3.7 | CCCN(c1ccncc1)n1ccc2ccccc21 | 10.1021/jm950644v | ||
| 1935 | 3677 | 92 | None | -117 | 8 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1016/j.ejmech.2018.02.083 | ||
| 2551 | 3677 | 92 | None | -117 | 8 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1016/j.ejmech.2018.02.083 | ||
| 6687 | 3677 | 92 | None | -117 | 8 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL95 | 3677 | 92 | None | -117 | 8 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1016/j.ejmech.2018.02.083 | ||
| DB00382 | 3677 | 92 | None | -117 | 8 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1016/j.ejmech.2018.02.083 | ||
| 168283551 | 190517 | 0 | None | 2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5187886 | 190517 | 0 | None | 2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 168283551 | 190517 | 0 | None | 2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5187886 | 190517 | 0 | None | 2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 62705484 | 75748 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 1.1 | O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057509 | 75748 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 1.1 | O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 71454214 | 83509 | 0 | None | -1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 573 | 10 | 3 | 5 | 4.2 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206592 | 83509 | 0 | None | -1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 573 | 10 | 3 | 5 | 4.2 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 145975126 | 163147 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 604 | 12 | 2 | 7 | 6.5 | COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4204913 | 163147 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 604 | 12 | 2 | 7 | 6.5 | COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 71458775 | 81527 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 297 | 7 | 0 | 3 | 3.1 | CN(C)CCOC(=O)C(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164888 | 81527 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 297 | 7 | 0 | 3 | 3.1 | CN(C)CCOC(=O)C(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2012.09.011 | ||
| 76320693 | 103018 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085082 | 103018 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 71458775 | 81527 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 297 | 7 | 0 | 3 | 3.1 | CN(C)CCOC(=O)C(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164888 | 81527 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 297 | 7 | 0 | 3 | 3.1 | CN(C)CCOC(=O)C(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2012.09.011 | ||
| 162656772 | 179786 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4751570 | 179786 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 148859951 | 180752 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.8 | CC1CN(c2ccc(F)cn2)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4762829 | 180752 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.8 | CC1CN(c2ccc(F)cn2)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 52176747 | 158485 | 1 | None | -3 | 8 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4096727 | 158485 | 1 | None | -3 | 8 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 71455966 | 83507 | 0 | None | -2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 675 | 11 | 3 | 5 | 6.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206590 | 83507 | 0 | None | -2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 675 | 11 | 3 | 5 | 6.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 71455969 | 83516 | 0 | None | -10 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 581 | 12 | 4 | 5 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206603 | 83516 | 0 | None | -10 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 581 | 12 | 4 | 5 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 168297098 | 191910 | 0 | None | -9 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5209198 | 191910 | 0 | None | -9 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168297098 | 191910 | 0 | None | -9 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5209198 | 191910 | 0 | None | -9 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 15681301 | 119814 | 0 | None | 1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 178 | 3 | 0 | 3 | 0.7 | C#CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL352832 | 119814 | 0 | None | 1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 178 | 3 | 0 | 3 | 0.7 | C#CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 62705659 | 75801 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 4 | 0 | 7 | 1.0 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccncn2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057771 | 75801 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 4 | 0 | 7 | 1.0 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccncn2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62706011 | 75813 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 447 | 4 | 0 | 6 | 1.3 | O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057784 | 75813 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 447 | 4 | 0 | 6 | 1.3 | O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 145978446 | 162977 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4202784 | 162977 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 145976650 | 163292 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 588 | 12 | 2 | 6 | 6.9 | COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4206484 | 163292 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 588 | 12 | 2 | 6 | 6.9 | COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 76324334 | 105995 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 369 | 4 | 0 | 3 | 4.5 | Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085070 | 105995 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 369 | 4 | 0 | 3 | 4.5 | Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140112 | 105995 | 0 | None | 2 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 369 | 4 | 0 | 3 | 4.5 | Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 11712408 | 106040 | 0 | None | 1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085067 | 106040 | 0 | None | 1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140261 | 106040 | 0 | None | 1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| 62705659 | 75801 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 4 | 0 | 7 | 1.0 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccncn2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057771 | 75801 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 4 | 0 | 7 | 1.0 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccncn2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62706009 | 75811 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 480 | 4 | 0 | 5 | 2.6 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057782 | 75811 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 480 | 4 | 0 | 5 | 2.6 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62706011 | 75813 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 447 | 4 | 0 | 6 | 1.3 | O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057784 | 75813 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 447 | 4 | 0 | 6 | 1.3 | O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705657 | 75798 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3cnc(Cl)cc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057768 | 75798 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3cnc(Cl)cc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62706009 | 75811 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 480 | 4 | 0 | 5 | 2.6 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057782 | 75811 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 480 | 4 | 0 | 5 | 2.6 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 44590168 | 172160 | 0 | None | -25 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 589 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL450652 | 172160 | 0 | None | -25 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 589 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540399 | 172160 | 0 | None | -25 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 589 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162652428 | 179832 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 426 | 5 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ncc(F)cc2Cl)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4752222 | 179832 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 426 | 5 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ncc(F)cc2Cl)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 152932795 | 180388 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 450 | 5 | 0 | 7 | 2.9 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(Cl)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4758554 | 180388 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 450 | 5 | 0 | 7 | 2.9 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(Cl)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162663618 | 181449 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 436 | 6 | 1 | 5 | 3.6 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncc(CO)cc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4780858 | 181449 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 436 | 6 | 1 | 5 | 3.6 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncc(CO)cc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 11584660 | 92836 | 7 | None | -10 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| CHEMBL244946 | 92836 | 7 | None | -10 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| 145963821 | 163557 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 560 | 10 | 2 | 6 | 6.1 | COc1ccc(Cn2cc(C(=O)NCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4209755 | 163557 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 560 | 10 | 2 | 6 | 6.1 | COc1ccc(Cn2cc(C(=O)NCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 44234194 | 102921 | 0 | None | 1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 412 | 7 | 1 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084670 | 102921 | 0 | None | 1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 412 | 7 | 1 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 152932795 | 180388 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 450 | 5 | 0 | 7 | 2.9 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(Cl)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4758554 | 180388 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 450 | 5 | 0 | 7 | 2.9 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(Cl)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705657 | 75798 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3cnc(Cl)cc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057768 | 75798 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3cnc(Cl)cc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76316970 | 103011 | 0 | None | -2 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 350 | 4 | 0 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085076 | 103011 | 0 | None | -2 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 350 | 4 | 0 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 62707585 | 75734 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 1.2 | O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057492 | 75734 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 1.2 | O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705152 | 75738 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2ccc3ncccc3c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057498 | 75738 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2ccc3ncccc3c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 71451570 | 81536 | 0 | None | 4 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164905 | 81536 | 0 | None | 4 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 162652428 | 179832 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 426 | 5 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ncc(F)cc2Cl)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4752222 | 179832 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 426 | 5 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ncc(F)cc2Cl)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 62707585 | 75734 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 1.2 | O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057492 | 75734 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 1.2 | O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705152 | 75738 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2ccc3ncccc3c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057498 | 75738 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2ccc3ncccc3c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705151 | 75737 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2cccc3ncccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057497 | 75737 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2cccc3ncccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 71451570 | 81536 | 0 | None | 4 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164905 | 81536 | 0 | None | 4 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 1956898 | 33990 | 9 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 306 | 3 | 0 | 2 | 3.0 | CN1CCN(C(=O)/C(=C\c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL1426275 | 33990 | 9 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 306 | 3 | 0 | 2 | 3.0 | CN1CCN(C(=O)/C(=C\c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 62705660 | 75802 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccnc(Cl)c2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057772 | 75802 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccnc(Cl)c2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 57393065 | 69780 | 0 | None | 1 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 425 | 6 | 1 | 6 | 1.6 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1940125 | 69780 | 0 | None | 1 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 425 | 6 | 1 | 6 | 1.6 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| 62705151 | 75737 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2cccc3ncccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057497 | 75737 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 4 | 0 | 6 | 1.6 | O=C(C1CN(S(=O)(=O)c2cccc3ncccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 162672484 | 182480 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@H]1CN(c2ccc(C#N)cn2)C[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4794239 | 182480 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@H]1CN(c2ccc(C#N)cn2)C[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705660 | 75802 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccnc(Cl)c2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057772 | 75802 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CCN(c2ccnc(Cl)c2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 44455049 | 95285 | 0 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 3.6 | CCN1CCN(c2ccc(NC(=O)COCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL258335 | 95285 | 0 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 3.6 | CCN1CCN(c2ccc(NC(=O)COCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 71459724 | 83593 | 0 | None | -144 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2207177 | 83593 | 0 | None | -144 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 162663037 | 181338 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 440 | 5 | 0 | 7 | 3.1 | N#Cc1ccc(C2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4779636 | 181338 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 440 | 5 | 0 | 7 | 3.1 | N#Cc1ccc(C2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 11552174 | 103026 | 0 | None | -1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085090 | 103026 | 0 | None | -1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 162654520 | 180089 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 455 | 5 | 0 | 8 | 2.5 | CC1CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4755240 | 180089 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 455 | 5 | 0 | 8 | 2.5 | CC1CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 162663037 | 181338 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 440 | 5 | 0 | 7 | 3.1 | N#Cc1ccc(C2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4779636 | 181338 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 440 | 5 | 0 | 7 | 3.1 | N#Cc1ccc(C2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162666311 | 181673 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 388 | 5 | 0 | 4 | 4.0 | Cc1ccncc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4783670 | 181673 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 388 | 5 | 0 | 4 | 4.0 | Cc1ccncc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 150393629 | 179823 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 5 | 1 | 6 | 3.8 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3nc(N)sc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4752080 | 179823 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 5 | 1 | 6 | 3.8 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3nc(N)sc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62706008 | 75810 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 4 | 0 | 7 | 1.0 | O=C(C1CN(S(=O)(=O)c2cccc3c2OCO3)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057781 | 75810 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 4 | 0 | 7 | 1.0 | O=C(C1CN(S(=O)(=O)c2cccc3c2OCO3)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 162658118 | 180498 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 6 | 0 | 7 | 3.4 | Cc1cc(F)cnc1N1CCN(C(=O)CCCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4759932 | 180498 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 6 | 0 | 7 | 3.4 | Cc1cc(F)cnc1N1CCN(C(=O)CCCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62706008 | 75810 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 4 | 0 | 7 | 1.0 | O=C(C1CN(S(=O)(=O)c2cccc3c2OCO3)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057781 | 75810 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 4 | 0 | 7 | 1.0 | O=C(C1CN(S(=O)(=O)c2cccc3c2OCO3)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62706007 | 75809 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 4 | 0 | 8 | 0.8 | O=C(C1CN(S(=O)(=O)c2cccc3nonc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057780 | 75809 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 4 | 0 | 8 | 0.8 | O=C(C1CN(S(=O)(=O)c2cccc3nonc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76324335 | 103017 | 0 | None | 1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085081 | 103017 | 0 | None | 1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 71463136 | 83521 | 0 | None | -6 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 621 | 12 | 4 | 5 | 5.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206608 | 83521 | 0 | None | -6 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 621 | 12 | 4 | 5 | 5.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 44589584 | 188193 | 0 | None | -31 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 563 | 10 | 4 | 5 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL505651 | 188193 | 0 | None | -31 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 563 | 10 | 4 | 5 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540144 | 188193 | 0 | None | -31 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 563 | 10 | 4 | 5 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 150393629 | 179823 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 5 | 1 | 6 | 3.8 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3nc(N)sc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4752080 | 179823 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 5 | 1 | 6 | 3.8 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3nc(N)sc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 71449761 | 81548 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 348 | 4 | 0 | 2 | 3.7 | O=C(C(Cc1ccccc1)c1ccccc1)N1CCN2CCCCC2C1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164923 | 81548 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 348 | 4 | 0 | 2 | 3.7 | O=C(C(Cc1ccccc1)c1ccccc1)N1CCN2CCCCC2C1 | 10.1016/j.bmcl.2012.09.011 | ||
| 15945874 | 188179 | 0 | None | -100 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL505452 | 188179 | 0 | None | -100 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 44590179 | 172148 | 0 | None | -19 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL450538 | 172148 | 0 | None | -19 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL553446 | 172148 | 0 | None | -19 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590125 | 183279 | 0 | None | -125 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 530 | 10 | 4 | 6 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL480878 | 183279 | 0 | None | -125 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 530 | 10 | 4 | 6 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 15945874 | 188179 | 0 | None | -100 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL505452 | 188179 | 0 | None | -100 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162658118 | 180498 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 6 | 0 | 7 | 3.4 | Cc1cc(F)cnc1N1CCN(C(=O)CCCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4759932 | 180498 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 6 | 0 | 7 | 3.4 | Cc1cc(F)cnc1N1CCN(C(=O)CCCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162672484 | 182480 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@H]1CN(c2ccc(C#N)cn2)C[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4794239 | 182480 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@H]1CN(c2ccc(C#N)cn2)C[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 25034112 | 187809 | 0 | None | 1 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL501727 | 187809 | 0 | None | 1 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 11690968 | 106019 | 0 | None | -1 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085072 | 106019 | 0 | None | -1 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140185 | 106019 | 0 | None | -1 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 164673826 | 191576 | 4 | None | 16 | 4 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 191576 | 4 | None | 16 | 4 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 11518068 | 106024 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085059 | 106024 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140213 | 106024 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 11583262 | 106015 | 0 | None | 1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085060 | 106015 | 0 | None | 1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140181 | 106015 | 0 | None | 1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 11503336 | 106032 | 0 | None | 1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085071 | 106032 | 0 | None | 1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140242 | 106032 | 0 | None | 1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 162666311 | 181673 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 388 | 5 | 0 | 4 | 4.0 | Cc1ccncc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4783670 | 181673 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 388 | 5 | 0 | 4 | 4.0 | Cc1ccncc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 71449761 | 81548 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 348 | 4 | 0 | 2 | 3.7 | O=C(C(Cc1ccccc1)c1ccccc1)N1CCN2CCCCC2C1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164923 | 81548 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 348 | 4 | 0 | 2 | 3.7 | O=C(C(Cc1ccccc1)c1ccccc1)N1CCN2CCCCC2C1 | 10.1016/j.bmcl.2012.09.011 | ||
| 62706007 | 75809 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 4 | 0 | 8 | 0.8 | O=C(C1CN(S(=O)(=O)c2cccc3nonc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057780 | 75809 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 4 | 0 | 8 | 0.8 | O=C(C1CN(S(=O)(=O)c2cccc3nonc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 44247476 | 69771 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 446 | 6 | 1 | 8 | 1.4 | Cc1cnccc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc3nsnc23)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1939954 | 69771 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 446 | 6 | 1 | 8 | 1.4 | Cc1cnccc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc3nsnc23)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| 10399393 | 204072 | 0 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL83074 | 204072 | 0 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 145978744 | 163143 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 616 | 14 | 2 | 6 | 7.7 | COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4204901 | 163143 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 616 | 14 | 2 | 6 | 7.7 | COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 168285490 | 191060 | 0 | None | -9 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196183 | 191060 | 0 | None | -9 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168285490 | 191060 | 0 | None | -9 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196183 | 191060 | 0 | None | -9 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| 62706662 | 75986 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 444 | 4 | 0 | 8 | 1.1 | O=C(C1CN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2058897 | 75986 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 444 | 4 | 0 | 8 | 1.1 | O=C(C1CN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76320690 | 105979 | 0 | None | 1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085063 | 105979 | 0 | None | 1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140092 | 105979 | 0 | None | 1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 57391282 | 69779 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 503 | 6 | 1 | 6 | 2.4 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccc(Br)cn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1940124 | 69779 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 503 | 6 | 1 | 6 | 2.4 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccc(Br)cn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| 1392038 | 8367 | 8 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1093775 | 8367 | 8 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 71462299 | 81531 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 348 | 4 | 0 | 2 | 3.7 | O=C(C(Cc1ccccc1)c1ccccc1)N1CC[C@H]2CCCN2CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164898 | 81531 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 348 | 4 | 0 | 2 | 3.7 | O=C(C(Cc1ccccc1)c1ccccc1)N1CC[C@H]2CCCN2CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 62705658 | 75799 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cc2c(S(=O)(=O)N3CC(C(=O)N4CCN(c5ccncc5)CC4)C3)cccc2cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057769 | 75799 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cc2c(S(=O)(=O)N3CC(C(=O)N4CCN(c5ccncc5)CC4)C3)cccc2cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| 145972056 | 163974 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 602 | 13 | 2 | 6 | 7.3 | COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4214900 | 163974 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 602 | 13 | 2 | 6 | 7.3 | COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 162523114 | 192108 | 0 | None | -19 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219691 | 192108 | 0 | None | -19 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 44233419 | 102924 | 0 | None | 1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 376 | 6 | 1 | 2 | 4.4 | CC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084674 | 102924 | 0 | None | 1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 376 | 6 | 1 | 2 | 4.4 | CC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | ||
| 162654520 | 180089 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 455 | 5 | 0 | 8 | 2.5 | CC1CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4755240 | 180089 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 455 | 5 | 0 | 8 | 2.5 | CC1CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705658 | 75799 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cc2c(S(=O)(=O)N3CC(C(=O)N4CCN(c5ccncc5)CC4)C3)cccc2cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057769 | 75799 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cc2c(S(=O)(=O)N3CC(C(=O)N4CCN(c5ccncc5)CC4)C3)cccc2cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62706662 | 75986 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 444 | 4 | 0 | 8 | 1.1 | O=C(C1CN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2058897 | 75986 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 444 | 4 | 0 | 8 | 1.1 | O=C(C1CN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 15180164 | 14390 | 1 | None | -1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL120399 | 14390 | 1 | None | -1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL307837 | 14390 | 1 | None | -1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 168296572 | 191800 | 0 | None | -4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207808 | 191800 | 0 | None | -4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168291835 | 191269 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5199408 | 191269 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 62705832 | 75806 | 13 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 463 | 4 | 0 | 6 | 1.8 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057776 | 75806 | 13 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 463 | 4 | 0 | 6 | 1.8 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 168296572 | 191800 | 0 | None | -4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207808 | 191800 | 0 | None | -4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| 62705153 | 75739 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 426 | 4 | 0 | 6 | 1.8 | O=C(C1CN(S(=O)(=O)c2ccc3occc3c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057499 | 75739 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 426 | 4 | 0 | 6 | 1.8 | O=C(C1CN(S(=O)(=O)c2ccc3occc3c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705311 | 75742 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 405 | 4 | 0 | 7 | 0.7 | Cc1noc(C)c1S(=O)(=O)N1CC(C(=O)N2CCN(c3ccncc3)CC2)C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057502 | 75742 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 405 | 4 | 0 | 7 | 0.7 | Cc1noc(C)c1S(=O)(=O)N1CC(C(=O)N2CCN(c3ccncc3)CC2)C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 168291835 | 191269 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5199408 | 191269 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 62705832 | 75806 | 13 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 463 | 4 | 0 | 6 | 1.8 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057776 | 75806 | 13 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 463 | 4 | 0 | 6 | 1.8 | O=C(C1CN(S(=O)(=O)c2cccc3cnccc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 162647674 | 179228 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 378 | 5 | 0 | 4 | 3.4 | O=C(CCCc1cccc2ncccc12)N1CCN(c2ccc(F)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4744918 | 179228 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 378 | 5 | 0 | 4 | 3.4 | O=C(CCCc1cccc2ncccc12)N1CCN(c2ccc(F)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162668909 | 182129 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 396 | 5 | 0 | 5 | 3.7 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncoc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4789570 | 182129 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 396 | 5 | 0 | 5 | 3.7 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncoc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705153 | 75739 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 426 | 4 | 0 | 6 | 1.8 | O=C(C1CN(S(=O)(=O)c2ccc3occc3c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057499 | 75739 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 426 | 4 | 0 | 6 | 1.8 | O=C(C1CN(S(=O)(=O)c2ccc3occc3c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705311 | 75742 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 405 | 4 | 0 | 7 | 0.7 | Cc1noc(C)c1S(=O)(=O)N1CC(C(=O)N2CCN(c3ccncc3)CC2)C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057502 | 75742 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 405 | 4 | 0 | 7 | 0.7 | Cc1noc(C)c1S(=O)(=O)N1CC(C(=O)N2CCN(c3ccncc3)CC2)C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 71449758 | 81535 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164904 | 81535 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 162668867 | 182069 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 360 | 5 | 0 | 4 | 3.3 | O=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4788792 | 182069 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 360 | 5 | 0 | 4 | 3.3 | O=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162675619 | 182757 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 412 | 5 | 0 | 5 | 4.2 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4797503 | 182757 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 412 | 5 | 0 | 5 | 4.2 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 71456921 | 81532 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 2.6 | CN1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164900 | 81532 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 2.6 | CN1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 24768606 | 3967 | 51 | None | 2 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 10.1016/j.bmcl.2011.11.110 | ||
| 3274 | 3967 | 51 | None | 2 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1628667 | 3967 | 51 | None | 2 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 10.1016/j.bmcl.2011.11.110 | ||
| 71449758 | 81535 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164904 | 81535 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71456921 | 81532 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 2.6 | CN1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164900 | 81532 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 2.6 | CN1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 145972388 | 164138 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 576 | 10 | 2 | 7 | 5.7 | COc1ccc(Cn2cc(C(=O)NCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4217126 | 164138 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 576 | 10 | 2 | 7 | 5.7 | COc1ccc(Cn2cc(C(=O)NCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 71452455 | 83505 | 0 | None | -50 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 565 | 9 | 3 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206588 | 83505 | 0 | None | -50 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 565 | 9 | 3 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 162647382 | 179122 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2CC3CCC2CN3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4743811 | 179122 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2CC3CCC2CN3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 44590178 | 172169 | 0 | None | -6 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL450781 | 172169 | 0 | None | -6 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540400 | 172169 | 0 | None | -6 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162675619 | 182757 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 412 | 5 | 0 | 5 | 4.2 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4797503 | 182757 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 412 | 5 | 0 | 5 | 4.2 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 137637944 | 155274 | 0 | None | -2 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4059829 | 155274 | 0 | None | -2 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 71456923 | 81538 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 320 | 3 | 0 | 2 | 2.9 | CN1CCN(C(=O)C2(c3ccccc3)CC2c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164908 | 81538 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 320 | 3 | 0 | 2 | 2.9 | CN1CCN(C(=O)C2(c3ccccc3)CC2c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 62705155 | 75741 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 475 | 4 | 0 | 7 | 1.8 | Cc1nc(C(F)(F)F)c(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)s1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057501 | 75741 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 475 | 4 | 0 | 7 | 1.8 | Cc1nc(C(F)(F)F)c(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)s1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62707584 | 75988 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 470 | 5 | 0 | 6 | 2.0 | O=C(C1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2058899 | 75988 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 470 | 5 | 0 | 6 | 2.0 | O=C(C1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 44589583 | 171914 | 0 | None | -39 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 561 | 10 | 5 | 6 | 3.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL448294 | 171914 | 0 | None | -39 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 561 | 10 | 5 | 6 | 3.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555471 | 171914 | 0 | None | -39 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 561 | 10 | 5 | 6 | 3.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590175 | 188047 | 0 | None | -19 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 598 | 10 | 3 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL503025 | 188047 | 0 | None | -19 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 598 | 10 | 3 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL553433 | 188047 | 0 | None | -19 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 598 | 10 | 3 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590122 | 191961 | 0 | None | -39 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 555 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C#N)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL521244 | 191961 | 0 | None | -39 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 555 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C#N)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162647674 | 179228 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 378 | 5 | 0 | 4 | 3.4 | O=C(CCCc1cccc2ncccc12)N1CCN(c2ccc(F)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4744918 | 179228 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 378 | 5 | 0 | 4 | 3.4 | O=C(CCCc1cccc2ncccc12)N1CCN(c2ccc(F)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 147814617 | 180324 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1C | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4757722 | 180324 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1C | 10.1021/acsmedchemlett.0c00626 | ||
| 162668909 | 182129 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 396 | 5 | 0 | 5 | 3.7 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncoc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4789570 | 182129 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 396 | 5 | 0 | 5 | 3.7 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncoc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162671792 | 182261 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 0 | 7 | 2.5 | Cc1ccncc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4791405 | 182261 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 0 | 7 | 2.5 | Cc1ccncc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 168294879 | 191700 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5206112 | 191700 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| 62705155 | 75741 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 475 | 4 | 0 | 7 | 1.8 | Cc1nc(C(F)(F)F)c(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)s1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057501 | 75741 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 475 | 4 | 0 | 7 | 1.8 | Cc1nc(C(F)(F)F)c(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)s1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62707584 | 75988 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 470 | 5 | 0 | 6 | 2.0 | O=C(C1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2058899 | 75988 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 470 | 5 | 0 | 6 | 2.0 | O=C(C1CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 44590034 | 189384 | 0 | None | -100 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(OC)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL517087 | 189384 | 0 | None | -100 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(OC)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 168294879 | 191700 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5206112 | 191700 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| 76320692 | 106026 | 0 | None | 2 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 390 | 4 | 0 | 3 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085065 | 106026 | 0 | None | 2 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 390 | 4 | 0 | 3 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140215 | 106026 | 0 | None | 2 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 390 | 4 | 0 | 3 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 71449760 | 81544 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1C | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164917 | 81544 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1C | 10.1016/j.bmcl.2012.09.011 | ||
| 162671792 | 182261 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 0 | 7 | 2.5 | Cc1ccncc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4791405 | 182261 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 0 | 7 | 2.5 | Cc1ccncc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 44247490 | 69775 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 416 | 6 | 1 | 8 | 0.6 | O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1939969 | 69775 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 416 | 6 | 1 | 8 | 0.6 | O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| 46830363 | 7937 | 0 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090759 | 7937 | 0 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 11819427 | 57248 | 0 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 168 | 2 | 0 | 3 | 1.1 | CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL166423 | 57248 | 0 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 168 | 2 | 0 | 3 | 1.1 | CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71449760 | 81544 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1C | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164917 | 81544 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1C | 10.1016/j.bmcl.2012.09.011 | ||
| 62705834 | 75807 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 477 | 4 | 0 | 6 | 2.2 | Cc1cc2c(S(=O)(=O)N3CC(C(=O)N4CC5CN(c6ccncc6)CC5C4)C3)cccc2cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057778 | 75807 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 477 | 4 | 0 | 6 | 2.2 | Cc1cc2c(S(=O)(=O)N3CC(C(=O)N4CC5CN(c6ccncc6)CC5C4)C3)cccc2cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| 147814617 | 180324 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1C | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4757722 | 180324 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1C | 10.1021/acsmedchemlett.0c00626 | ||
| 62705834 | 75807 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 477 | 4 | 0 | 6 | 2.2 | Cc1cc2c(S(=O)(=O)N3CC(C(=O)N4CC5CN(c6ccncc6)CC5C4)C3)cccc2cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057778 | 75807 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 477 | 4 | 0 | 6 | 2.2 | Cc1cc2c(S(=O)(=O)N3CC(C(=O)N4CC5CN(c6ccncc6)CC5C4)C3)cccc2cn1 | 10.1016/j.bmcl.2012.06.018 | ||
| 71533595 | 86136 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCC(N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315677 | 86136 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCC(N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 44233189 | 102926 | 0 | None | -1 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 349 | 5 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084678 | 102926 | 0 | None | -1 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 349 | 5 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 145974491 | 164162 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 622 | 12 | 2 | 6 | 7.5 | COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4217346 | 164162 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 622 | 12 | 2 | 6 | 7.5 | COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 49665121 | 169895 | 11 | None | -3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL4448840 | 169895 | 11 | None | -3 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | ||
| 62707586 | 75735 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 438 | 4 | 0 | 5 | 1.8 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2F)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057493 | 75735 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 438 | 4 | 0 | 5 | 1.8 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2F)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705835 | 75808 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 470 | 4 | 0 | 8 | 1.3 | O=C(C1CN(S(=O)(=O)c2cccc3nsnc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057779 | 75808 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 470 | 4 | 0 | 8 | 1.3 | O=C(C1CN(S(=O)(=O)c2cccc3nsnc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62707586 | 75735 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 438 | 4 | 0 | 5 | 1.8 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2F)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057493 | 75735 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 438 | 4 | 0 | 5 | 1.8 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2F)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705835 | 75808 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 470 | 4 | 0 | 8 | 1.3 | O=C(C1CN(S(=O)(=O)c2cccc3nsnc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057779 | 75808 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 470 | 4 | 0 | 8 | 1.3 | O=C(C1CN(S(=O)(=O)c2cccc3nsnc23)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 168273459 | 189510 | 0 | None | -23 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172903 | 189510 | 0 | None | -23 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 137638270 | 156335 | 0 | None | -2 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4071900 | 156335 | 0 | None | -2 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 168273459 | 189510 | 0 | None | -23 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172903 | 189510 | 0 | None | -23 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 71460588 | 81539 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)C(F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164910 | 81539 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)C(F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 46883796 | 7811 | 0 | None | 1 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 4.8 | CCN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090096 | 7811 | 0 | None | 1 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 4.8 | CCN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 1421986 | 8181 | 4 | None | 1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1092461 | 8181 | 4 | None | 1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 15033741 | 4283 | 4 | None | -69 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL101054 | 4283 | 4 | None | -69 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL420007 | 4283 | 4 | None | -69 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 11626847 | 105994 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085068 | 105994 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140111 | 105994 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 71455951 | 83443 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm201348t | ||
| CHEMBL2206333 | 83443 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm201348t | ||
| 162644387 | 181178 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 390 | 6 | 0 | 5 | 3.3 | COc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4777559 | 181178 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 390 | 6 | 0 | 5 | 3.3 | COc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 168298068 | 192057 | 0 | None | -23 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 440 | 4 | 1 | 7 | 3.0 | Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)s1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218449 | 192057 | 0 | None | -23 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 440 | 4 | 1 | 7 | 3.0 | Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)s1 | 10.1016/j.bmcl.2022.128988 | ||
| 162664403 | 181478 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 413 | 5 | 1 | 6 | 3.0 | Cc1cc(F)cnc1N1CCN(C(=O)CNCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4781339 | 181478 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 413 | 5 | 1 | 6 | 3.0 | Cc1cc(F)cnc1N1CCN(C(=O)CNCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705483 | 75747 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 1.4 | Cc1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cnc1Cl | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057508 | 75747 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 1.4 | Cc1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cnc1Cl | 10.1016/j.bmcl.2012.06.018 | ||
| 162649328 | 179439 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 483 | 5 | 0 | 9 | 1.8 | N#Cc1ccc(N2C3COCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4747295 | 179439 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 483 | 5 | 0 | 9 | 1.8 | N#Cc1ccc(N2C3COCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 44590174 | 169490 | 0 | None | -7 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 651 | 10 | 3 | 6 | 4.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL444300 | 169490 | 0 | None | -7 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 651 | 10 | 3 | 6 | 4.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL466271 | 169490 | 0 | None | -7 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 651 | 10 | 3 | 6 | 4.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162647382 | 179122 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2CC3CCC2CN3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4743811 | 179122 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2CC3CCC2CN3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162649328 | 179439 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 483 | 5 | 0 | 9 | 1.8 | N#Cc1ccc(N2C3COCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4747295 | 179439 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 483 | 5 | 0 | 9 | 1.8 | N#Cc1ccc(N2C3COCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162673304 | 182516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 5 | 0 | 7 | 3.2 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4794536 | 182516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 5 | 0 | 7 | 3.2 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705483 | 75747 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 1.4 | Cc1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cnc1Cl | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057508 | 75747 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 1.4 | Cc1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cnc1Cl | 10.1016/j.bmcl.2012.06.018 | ||
| 137647734 | 157304 | 0 | None | -2 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4083681 | 157304 | 0 | None | -2 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 162660345 | 180724 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@H]1CN(c2ccc(C#N)cn2)[C@H](C)CN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4762477 | 180724 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@H]1CN(c2ccc(C#N)cn2)[C@H](C)CN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 162644387 | 181178 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 390 | 6 | 0 | 5 | 3.3 | COc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4777559 | 181178 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 390 | 6 | 0 | 5 | 3.3 | COc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62706010 | 75812 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 430 | 4 | 0 | 5 | 1.4 | O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057783 | 75812 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 430 | 4 | 0 | 5 | 1.4 | O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 162664403 | 181478 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 413 | 5 | 1 | 6 | 3.0 | Cc1cc(F)cnc1N1CCN(C(=O)CNCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4781339 | 181478 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 413 | 5 | 1 | 6 | 3.0 | Cc1cc(F)cnc1N1CCN(C(=O)CNCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 71716773 | 86139 | 0 | None | -2 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315680 | 86139 | 0 | None | -2 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 162673304 | 182516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 5 | 0 | 7 | 3.2 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4794536 | 182516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 5 | 0 | 7 | 3.2 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 44247486 | 69773 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 510 | 6 | 1 | 8 | 1.9 | O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccc(Br)cn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1939962 | 69773 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 510 | 6 | 1 | 8 | 1.9 | O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccc(Br)cn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| 62706010 | 75812 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 430 | 4 | 0 | 5 | 1.4 | O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057783 | 75812 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 430 | 4 | 0 | 5 | 1.4 | O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CC2CN(c3ccncc3)CC2C1 | 10.1016/j.bmcl.2012.06.018 | ||
| 1090198 | 7810 | 12 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 373 | 5 | 1 | 4 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090095 | 7810 | 12 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 373 | 5 | 1 | 4 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 952858 | 97279 | 4 | None | 1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL271519 | 97279 | 4 | None | 1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 71716773 | 86139 | 0 | None | -2 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315680 | 86139 | 0 | None | -2 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 137655063 | 158427 | 0 | None | -2 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4096143 | 158427 | 0 | None | -2 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 71454215 | 83511 | 0 | None | -6 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 714 | 13 | 4 | 6 | 6.5 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2n(Cc3ccc(Cl)cc3)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206595 | 83511 | 0 | None | -6 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 714 | 13 | 4 | 6 | 6.5 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2n(Cc3ccc(Cl)cc3)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 145974265 | 164190 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 608 | 11 | 2 | 6 | 7.2 | COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4217660 | 164190 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 608 | 11 | 2 | 6 | 7.2 | COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 71451571 | 81537 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 308 | 4 | 0 | 2 | 2.8 | CN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164906 | 81537 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 308 | 4 | 0 | 2 | 2.8 | CN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 76327900 | 106001 | 0 | None | 1 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085061 | 106001 | 0 | None | 1 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140142 | 106001 | 0 | None | 1 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 162660345 | 180724 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@H]1CN(c2ccc(C#N)cn2)[C@H](C)CN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4762477 | 180724 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | C[C@H]1CN(c2ccc(C#N)cn2)[C@H](C)CN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 1090206 | 166888 | 10 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 373 | 6 | 1 | 4 | 3.5 | CCN1CCN(c2ccc(NC(=O)COc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL429780 | 166888 | 10 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 373 | 6 | 1 | 4 | 3.5 | CCN1CCN(c2ccc(NC(=O)COc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 71719197 | 86138 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 515 | 4 | 1 | 4 | 4.0 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315679 | 86138 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 515 | 4 | 1 | 4 | 4.0 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 71719197 | 86138 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 515 | 4 | 1 | 4 | 4.0 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315679 | 86138 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 515 | 4 | 1 | 4 | 4.0 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 76327902 | 103024 | 0 | None | 1 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 354 | 4 | 0 | 4 | 4.4 | Cc1ccoc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085088 | 103024 | 0 | None | 1 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 354 | 4 | 0 | 4 | 4.4 | Cc1ccoc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 46830361 | 7809 | 0 | None | 2 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090094 | 7809 | 0 | None | 2 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 57339144 | 91806 | 71 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.1021/jm400919p | ||
| CHEMBL2426364 | 91806 | 71 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.1021/jm400919p | ||
| 162676849 | 182937 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 414 | 5 | 0 | 6 | 3.4 | Cc1cc(F)cnc1N1CCN(C(=O)COCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4799837 | 182937 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 414 | 5 | 0 | 6 | 3.4 | Cc1cc(F)cnc1N1CCN(C(=O)COCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 10419574 | 57789 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 168 | 3 | 0 | 3 | 1.1 | CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL167438 | 57789 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 168 | 3 | 0 | 3 | 1.1 | CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 15681300 | 57259 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | C#CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL166537 | 57259 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | C#CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71460585 | 81529 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CCN1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164895 | 81529 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CCN1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71462299 | 81531 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 348 | 4 | 0 | 2 | 3.7 | O=C(C(Cc1ccccc1)c1ccccc1)N1CC[C@H]2CCCN2CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164898 | 81531 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 348 | 4 | 0 | 2 | 3.7 | O=C(C(Cc1ccccc1)c1ccccc1)N1CC[C@H]2CCCN2CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 62705315 | 75745 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 0.4 | O=C(C1CN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057506 | 75745 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 0.4 | O=C(C1CN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 71457751 | 83444 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 330 | 10 | 1 | 3 | 4.2 | Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 | 10.1021/jm201348t | ||
| CHEMBL2206335 | 83444 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 330 | 10 | 1 | 3 | 4.2 | Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 | 10.1021/jm201348t | ||
| 62705315 | 75745 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 0.4 | O=C(C1CN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057506 | 75745 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 0.4 | O=C(C1CN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 119053 | 17024 | 31 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 228 | 1 | 1 | 3 | 2.7 | COc1ccc2nc3c(c(N)c2c1)CCCC3 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL1256415 | 17024 | 31 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 228 | 1 | 1 | 3 | 2.7 | COc1ccc2nc3c(c(N)c2c1)CCCC3 | 10.1016/j.ejmech.2018.02.083 | ||
| 145964146 | 163747 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 562 | 9 | 2 | 7 | 5.3 | COc1ccc(Cn2cc(C(=O)NCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4212151 | 163747 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 562 | 9 | 2 | 7 | 5.3 | COc1ccc(Cn2cc(C(=O)NCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 71457771 | 83515 | 0 | None | -5 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 691 | 14 | 4 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206602 | 83515 | 0 | None | -5 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 691 | 14 | 4 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 71460585 | 81529 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CCN1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164895 | 81529 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CCN1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 162661645 | 180832 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 4.3 | C[C@@H]1CN(c2ccncc2Cl)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4763789 | 180832 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 4.3 | C[C@@H]1CN(c2ccncc2Cl)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 161179206 | 181220 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 434 | 5 | 0 | 7 | 2.3 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccncc2F)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4778054 | 181220 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 434 | 5 | 0 | 7 | 2.3 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccncc2F)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 71458778 | 81547 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 362 | 5 | 0 | 2 | 4.1 | O=C(C(Cc1ccccc1)c1ccccc1)N1CCC(N2CCCC2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164922 | 81547 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 362 | 5 | 0 | 2 | 4.1 | O=C(C(Cc1ccccc1)c1ccccc1)N1CCC(N2CCCC2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71458778 | 81547 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 362 | 5 | 0 | 2 | 4.1 | O=C(C(Cc1ccccc1)c1ccccc1)N1CCC(N2CCCC2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164922 | 81547 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 362 | 5 | 0 | 2 | 4.1 | O=C(C(Cc1ccccc1)c1ccccc1)N1CCC(N2CCCC2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 58975257 | 102902 | 0 | None | 1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 377 | 6 | 2 | 2 | 3.9 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(N)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084638 | 102902 | 0 | None | 1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 377 | 6 | 2 | 2 | 3.9 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(N)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 10081053 | 57266 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 182 | 1 | 0 | 3 | 1.5 | CC(C)(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL166593 | 57266 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 182 | 1 | 0 | 3 | 1.5 | CC(C)(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44590180 | 172077 | 0 | None | -3 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 5.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL449640 | 172077 | 0 | None | -3 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 5.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540398 | 172077 | 0 | None | -3 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 5.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590173 | 188502 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL510029 | 188502 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555019 | 188502 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162661645 | 180832 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 4.3 | C[C@@H]1CN(c2ccncc2Cl)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4763789 | 180832 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 408 | 5 | 0 | 4 | 4.3 | C[C@@H]1CN(c2ccncc2Cl)CCN1C(=O)CCCc1cccc2ncccc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 162648854 | 179267 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 441 | 5 | 0 | 8 | 2.1 | N#Cc1cc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4745250 | 179267 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 441 | 5 | 0 | 8 | 2.1 | N#Cc1cc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 161179206 | 181220 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 434 | 5 | 0 | 7 | 2.3 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccncc2F)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4778054 | 181220 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 434 | 5 | 0 | 7 | 2.3 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccncc2F)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 25034180 | 187828 | 0 | None | -2 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL502000 | 187828 | 0 | None | -2 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 162643683 | 181132 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | CC1(C)CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4776944 | 181132 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | CC1(C)CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 162676849 | 182937 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 414 | 5 | 0 | 6 | 3.4 | Cc1cc(F)cnc1N1CCN(C(=O)COCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4799837 | 182937 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 414 | 5 | 0 | 6 | 3.4 | Cc1cc(F)cnc1N1CCN(C(=O)COCc2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 10092649 | 192471 | 51 | None | -2 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | -2 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 11619198 | 106009 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 365 | 4 | 0 | 2 | 4.6 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085058 | 106009 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 365 | 4 | 0 | 2 | 4.6 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140170 | 106009 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 365 | 4 | 0 | 2 | 4.6 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 57393065 | 69780 | 0 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 425 | 6 | 1 | 6 | 1.6 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL1940125 | 69780 | 0 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 425 | 6 | 1 | 6 | 1.6 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 57393065 | 69780 | 0 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 425 | 6 | 1 | 6 | 1.6 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1940125 | 69780 | 0 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 425 | 6 | 1 | 6 | 1.6 | O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| 163938 | 106435 | 13 | None | -316 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 180 | 1 | 1 | 5 | 0.1 | Nc1noc(C2CN3CCC2C3)n1 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL314737 | 106435 | 13 | None | -316 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 180 | 1 | 1 | 5 | 0.1 | Nc1noc(C2CN3CCC2C3)n1 | 10.1016/S0960-894X(00)80538-7 | ||
| 290 | 2438 | 4 | None | -7 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| 4022 | 2438 | 4 | None | -7 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| 5926 | 2438 | 4 | None | -7 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL40554 | 2438 | 4 | None | -7 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL74300 | 2438 | 4 | None | -7 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| 145967131 | 163638 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 580 | 9 | 2 | 6 | 6.4 | COc1ccc(Cn2cc(C(=O)NCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4210729 | 163638 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 580 | 9 | 2 | 6 | 6.4 | COc1ccc(Cn2cc(C(=O)NCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 62707587 | 75736 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 1.7 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057494 | 75736 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 1.7 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62707587 | 75736 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 1.7 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057494 | 75736 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 1.7 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 162643683 | 181132 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | CC1(C)CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4776944 | 181132 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 469 | 5 | 0 | 8 | 2.9 | CC1(C)CN(c2ccc(C#N)cn2)CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12 | 10.1021/acsmedchemlett.0c00626 | ||
| 145974148 | 163998 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 594 | 10 | 2 | 6 | 6.8 | COc1ccc(Cn2cc(C(=O)NCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4215154 | 163998 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 594 | 10 | 2 | 6 | 6.8 | COc1ccc(Cn2cc(C(=O)NCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 71463135 | 83520 | 0 | None | -9 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 607 | 12 | 4 | 5 | 5.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206607 | 83520 | 0 | None | -9 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 607 | 12 | 4 | 5 | 5.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 76313454 | 106025 | 0 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085064 | 106025 | 0 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140214 | 106025 | 0 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 145973015 | 164006 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 566 | 8 | 2 | 6 | 6.0 | COc1ccc(Cn2cc(C(=O)NCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4215217 | 164006 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 566 | 8 | 2 | 6 | 6.0 | COc1ccc(Cn2cc(C(=O)NCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 15681303 | 58681 | 0 | None | 1 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 0.3 | COCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168991 | 58681 | 0 | None | 1 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 0.3 | COCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71449759 | 81540 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 308 | 4 | 0 | 2 | 2.8 | CN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164911 | 81540 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 308 | 4 | 0 | 2 | 2.8 | CN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 70682148 | 75987 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 428 | 4 | 0 | 8 | 0.6 | O=C(C1CN(S(=O)(=O)c2cccc3nonc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2058898 | 75987 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 428 | 4 | 0 | 8 | 0.6 | O=C(C1CN(S(=O)(=O)c2cccc3nonc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 71462301 | 81542 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CC(C)N1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164913 | 81542 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CC(C)N1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 164673826 | 191576 | 4 | None | -1995 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 191576 | 4 | None | -1995 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 164673826 | 191576 | 4 | None | -1995 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 191576 | 4 | None | -1995 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 71449759 | 81540 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 308 | 4 | 0 | 2 | 2.8 | CN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164911 | 81540 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 308 | 4 | 0 | 2 | 2.8 | CN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71462301 | 81542 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CC(C)N1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164913 | 81542 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 336 | 5 | 0 | 2 | 3.6 | CC(C)N1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 162648854 | 179267 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 441 | 5 | 0 | 8 | 2.1 | N#Cc1cc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4745250 | 179267 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 441 | 5 | 0 | 8 | 2.1 | N#Cc1cc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 24882532 | 94674 | 0 | None | 2 | 4 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255523 | 94674 | 0 | None | 2 | 4 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 24882532 | 94674 | 0 | None | 2 | 4 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL255523 | 94674 | 0 | None | 2 | 4 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 11508710 | 103025 | 0 | None | -1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085089 | 103025 | 0 | None | -1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 44247492 | 69772 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 466 | 6 | 1 | 8 | 1.8 | O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2cc(Cl)ccn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1939957 | 69772 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 466 | 6 | 1 | 8 | 1.8 | O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2cc(Cl)ccn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| 145973666 | 163955 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 546 | 9 | 2 | 6 | 5.7 | COc1ccc(Cn2cc(C(=O)NCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4214668 | 163955 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 546 | 9 | 2 | 6 | 5.7 | COc1ccc(Cn2cc(C(=O)NCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 44455239 | 166718 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL429320 | 166718 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 71454213 | 83508 | 0 | None | -11 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 723 | 11 | 3 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCc4ccccc4C3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206591 | 83508 | 0 | None | -11 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 723 | 11 | 3 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCc4ccccc4C3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 46883843 | 8397 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 379 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1093933 | 8397 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 379 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 71454212 | 83503 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 623 | 13 | 4 | 5 | 5.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(C)(C)C[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206586 | 83503 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 623 | 13 | 4 | 5 | 5.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(C)(C)C[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 71533595 | 86136 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCC(N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315677 | 86136 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCC(N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 69444105 | 103012 | 0 | None | -2 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085077 | 103012 | 0 | None | -2 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 57393064 | 69778 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 512 | 6 | 1 | 8 | 1.5 | O=C(CCNS(=O)(=O)c1ccc(F)c2nonc12)N1CCN(c2ccc(Br)cn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1940121 | 69778 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 512 | 6 | 1 | 8 | 1.5 | O=C(CCNS(=O)(=O)c1ccc(F)c2nonc12)N1CCN(c2ccc(Br)cn2)CC1 | 10.1016/j.bmcl.2011.11.110 | ||
| 162673980 | 182593 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 484 | 5 | 0 | 7 | 3.2 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccnc(C(F)(F)F)c2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4795554 | 182593 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 484 | 5 | 0 | 7 | 3.2 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccnc(C(F)(F)F)c2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 71718588 | 86134 | 0 | None | 1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315675 | 86134 | 0 | None | 1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 46830362 | 7812 | 0 | None | 3 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090097 | 7812 | 0 | None | 3 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 162670151 | 182127 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 378 | 5 | 0 | 4 | 3.4 | O=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2F)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4789534 | 182127 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 378 | 5 | 0 | 4 | 3.4 | O=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2F)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 2066745 | 94808 | 8 | None | 10 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 337 | 7 | 1 | 3 | 4.0 | CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL256202 | 94808 | 8 | None | 10 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 337 | 7 | 1 | 3 | 4.0 | CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1 | 10.1016/j.bmcl.2007.12.051 | ||
| 75201901 | 165872 | 14 | None | -223 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | ||
| CHEMBL4277264 | 165872 | 14 | None | -223 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.8b01622 | ||
| 71718588 | 86134 | 0 | None | 1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315675 | 86134 | 0 | None | 1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 10375322 | 58422 | 0 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 192 | 2 | 0 | 3 | 1.1 | CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168545 | 58422 | 0 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 192 | 2 | 0 | 3 | 1.1 | CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 11547053 | 105984 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 377 | 4 | 0 | 3 | 5.0 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085074 | 105984 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 377 | 4 | 0 | 3 | 5.0 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140097 | 105984 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 377 | 4 | 0 | 3 | 5.0 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 149334645 | 180549 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 441 | 5 | 0 | 8 | 2.1 | N#Cc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4760610 | 180549 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 441 | 5 | 0 | 8 | 2.1 | N#Cc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162675041 | 182876 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 455 | 5 | 0 | 8 | 2.5 | CC1CN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CCN1c1ccc(C#N)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4799006 | 182876 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 455 | 5 | 0 | 8 | 2.5 | CC1CN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CCN1c1ccc(C#N)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 44590176 | 188477 | 0 | None | -5 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 4.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL509614 | 188477 | 0 | None | -5 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 4.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555707 | 188477 | 0 | None | -5 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 4.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 71456922 | 81534 | 3 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 309 | 4 | 0 | 3 | 2.2 | CN1CCN(C(=O)C(Cc2cccnc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164903 | 81534 | 3 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 309 | 4 | 0 | 3 | 2.2 | CN1CCN(C(=O)C(Cc2cccnc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 62705316 | 75746 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 1.1 | O=C(C1CN(S(=O)(=O)c2ccc(Cl)nc2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057507 | 75746 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 1.1 | O=C(C1CN(S(=O)(=O)c2ccc(Cl)nc2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 952858 | 97279 | 4 | None | -1 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL271519 | 97279 | 4 | None | -1 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 952858 | 97279 | 4 | None | -1 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL271519 | 97279 | 4 | None | -1 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 71456922 | 81534 | 3 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 309 | 4 | 0 | 3 | 2.2 | CN1CCN(C(=O)C(Cc2cccnc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164903 | 81534 | 3 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 309 | 4 | 0 | 3 | 2.2 | CN1CCN(C(=O)C(Cc2cccnc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 62705316 | 75746 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 1.1 | O=C(C1CN(S(=O)(=O)c2ccc(Cl)nc2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057507 | 75746 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 1.1 | O=C(C1CN(S(=O)(=O)c2ccc(Cl)nc2)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 44590033 | 183096 | 0 | None | -25 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(OC)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL480299 | 183096 | 0 | None | -25 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(OC)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162673980 | 182593 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 484 | 5 | 0 | 7 | 3.2 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccnc(C(F)(F)F)c2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4795554 | 182593 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 484 | 5 | 0 | 7 | 3.2 | O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2ccnc(C(F)(F)F)c2)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705830 | 75804 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cnccc1N1CCN(C(=O)C2CN(S(=O)(=O)c3cccc4cnccc34)C2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057774 | 75804 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cnccc1N1CCN(C(=O)C2CN(S(=O)(=O)c3cccc4cnccc34)C2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 10356836 | 20394 | 0 | None | -234 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 289 | 8 | 0 | 4 | 3.5 | CCCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL130807 | 20394 | 0 | None | -234 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 289 | 8 | 0 | 4 | 3.5 | CCCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 62705830 | 75804 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cnccc1N1CCN(C(=O)C2CN(S(=O)(=O)c3cccc4cnccc34)C2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057774 | 75804 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 451 | 4 | 0 | 6 | 1.9 | Cc1cnccc1N1CCN(C(=O)C2CN(S(=O)(=O)c3cccc4cnccc34)C2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76320694 | 103021 | 0 | None | -1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085085 | 103021 | 0 | None | -1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| 145964214 | 163872 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 636 | 13 | 2 | 6 | 7.9 | COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4213591 | 163872 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 636 | 13 | 2 | 6 | 7.9 | COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 14936861 | 102630 | 3 | None | -8 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00100a005 | ||
| CHEMBL307645 | 102630 | 3 | None | -8 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00100a005 | ||
| 137654353 | 158470 | 0 | None | -1 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4096589 | 158470 | 0 | None | -1 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 10220392 | 204287 | 0 | None | 6 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL84893 | 204287 | 0 | None | 6 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 2230 | 461 | 55 | None | -3 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 296 | 461 | 55 | None | -3 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| CHEMBL7303 | 461 | 55 | None | -3 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| DB04365 | 461 | 55 | None | -3 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 62706173 | 75800 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 505 | 4 | 0 | 6 | 2.9 | O=C(C1CN(S(=O)(=O)c2cccc3c(Cl)nc(Cl)cc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057770 | 75800 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 505 | 4 | 0 | 6 | 2.9 | O=C(C1CN(S(=O)(=O)c2cccc3c(Cl)nc(Cl)cc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76316969 | 106041 | 0 | None | 2 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 396 | 4 | 0 | 4 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085075 | 106041 | 0 | None | 2 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 396 | 4 | 0 | 4 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140262 | 106041 | 0 | None | 2 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 396 | 4 | 0 | 4 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 62706173 | 75800 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 505 | 4 | 0 | 6 | 2.9 | O=C(C1CN(S(=O)(=O)c2cccc3c(Cl)nc(Cl)cc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057770 | 75800 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 505 | 4 | 0 | 6 | 2.9 | O=C(C1CN(S(=O)(=O)c2cccc3c(Cl)nc(Cl)cc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 44455192 | 168361 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 375 | 5 | 1 | 3 | 3.8 | CCN1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL438706 | 168361 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 375 | 5 | 1 | 3 | 3.8 | CCN1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 10376012 | 58425 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 216 | 2 | 0 | 3 | 1.1 | CC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168561 | 58425 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 216 | 2 | 0 | 3 | 1.1 | CC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71462300 | 81541 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 322 | 5 | 0 | 2 | 3.2 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164912 | 81541 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 322 | 5 | 0 | 2 | 3.2 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71462300 | 81541 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 322 | 5 | 0 | 2 | 3.2 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164912 | 81541 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 322 | 5 | 0 | 2 | 3.2 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 2067745 | 97095 | 4 | None | 13 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 4.9 | CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL270580 | 97095 | 4 | None | 13 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 4.9 | CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2007.12.051 | ||
| 10397356 | 120204 | 0 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | CC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL354738 | 120204 | 0 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | CC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71450615 | 83517 | 0 | None | -2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 609 | 14 | 4 | 5 | 5.5 | CC[N+](CC)(CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)OC(C)C)cc1)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206604 | 83517 | 0 | None | -2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 609 | 14 | 4 | 5 | 5.5 | CC[N+](CC)(CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)OC(C)C)cc1)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 44233928 | 85647 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 5.6 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2308786 | 85647 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 5.6 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 148774041 | 180080 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)C(C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4755122 | 180080 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)C(C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 148774041 | 180080 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)C(C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4755122 | 180080 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)C(C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162657046 | 180261 | 0 | None | 6 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4757103 | 180261 | 0 | None | 6 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 149334645 | 180549 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 441 | 5 | 0 | 8 | 2.1 | N#Cc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4760610 | 180549 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 441 | 5 | 0 | 8 | 2.1 | N#Cc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162675041 | 182876 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 455 | 5 | 0 | 8 | 2.5 | CC1CN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CCN1c1ccc(C#N)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4799006 | 182876 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 455 | 5 | 0 | 8 | 2.5 | CC1CN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CCN1c1ccc(C#N)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 10399068 | 100211 | 21 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 232 | 0 | 1 | 2 | 3.3 | Nc1c2c(nc3cc(Cl)ccc13)CCCC2 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL292314 | 100211 | 21 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 232 | 0 | 1 | 2 | 3.3 | Nc1c2c(nc3cc(Cl)ccc13)CCCC2 | 10.1016/j.ejmech.2018.02.083 | ||
| 76313456 | 106027 | 0 | None | 1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085066 | 106027 | 0 | None | 1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140216 | 106027 | 0 | None | 1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| 162655141 | 180162 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.7 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4755998 | 180162 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.7 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162660374 | 180763 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 3.2 | N#Cc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4763015 | 180763 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 3.2 | N#Cc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 44590181 | 172992 | 0 | None | -12 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 633 | 12 | 3 | 8 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL453248 | 172992 | 0 | None | -12 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 633 | 12 | 3 | 8 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL551113 | 172992 | 0 | None | -12 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 633 | 12 | 3 | 8 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590167 | 178446 | 0 | None | -25 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 494 | 10 | 4 | 6 | 2.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL471214 | 178446 | 0 | None | -25 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 494 | 10 | 4 | 6 | 2.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 71720414 | 86135 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 430 | 4 | 1 | 4 | 4.2 | Cc1ccccc1CN1CCC(N2CC3CC(n4c(=O)[nH]c5ccccc54)CC3C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315676 | 86135 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 430 | 4 | 1 | 4 | 4.2 | Cc1ccccc1CN1CCC(N2CC3CC(n4c(=O)[nH]c5ccccc54)CC3C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 71720414 | 86135 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 430 | 4 | 1 | 4 | 4.2 | Cc1ccccc1CN1CCC(N2CC3CC(n4c(=O)[nH]c5ccccc54)CC3C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315676 | 86135 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 430 | 4 | 1 | 4 | 4.2 | Cc1ccccc1CN1CCC(N2CC3CC(n4c(=O)[nH]c5ccccc54)CC3C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 162660374 | 180763 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 3.2 | N#Cc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4763015 | 180763 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 3.2 | N#Cc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 145978073 | 163192 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 532 | 8 | 2 | 6 | 5.3 | COc1ccc(Cn2cc(C(=O)NCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4205374 | 163192 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 532 | 8 | 2 | 6 | 5.3 | COc1ccc(Cn2cc(C(=O)NCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 162655141 | 180162 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.7 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4755998 | 180162 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 392 | 5 | 0 | 4 | 3.7 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 24768606 | 3967 | 51 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 10.1016/j.bmcl.2012.06.018 | ||
| 3274 | 3967 | 51 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL1628667 | 3967 | 51 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705661 | 75803 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 465 | 4 | 0 | 6 | 2.2 | Cc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)cc(C)n1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057773 | 75803 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 465 | 4 | 0 | 6 | 2.2 | Cc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)cc(C)n1 | 10.1016/j.bmcl.2012.06.018 | ||
| 24768606 | 3967 | 51 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 10.1016/j.bmcl.2011.11.110 | ||
| 3274 | 3967 | 51 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 10.1016/j.bmcl.2011.11.110 | ||
| CHEMBL1628667 | 3967 | 51 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 10.1016/j.bmcl.2011.11.110 | ||
| 62705661 | 75803 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 465 | 4 | 0 | 6 | 2.2 | Cc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)cc(C)n1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057773 | 75803 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 465 | 4 | 0 | 6 | 2.2 | Cc1cc(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc5cnccc45)C3)CC2)cc(C)n1 | 10.1016/j.bmcl.2012.06.018 | ||
| 162665894 | 181744 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2CC3CCC(C2)N3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4784357 | 181744 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2CC3CCC(C2)N3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 168271323 | 189951 | 0 | None | -75 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179833 | 189951 | 0 | None | -75 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 159270788 | 182759 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 462 | 5 | 0 | 7 | 3.0 | Cc1cc(F)cnc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4797561 | 182759 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 462 | 5 | 0 | 7 | 3.0 | Cc1cc(F)cnc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 168271323 | 189951 | 0 | None | -75 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179833 | 189951 | 0 | None | -75 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168288097 | 191108 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196917 | 191108 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168288097 | 191108 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196917 | 191108 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 11617374 | 103013 | 0 | None | -2 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085078 | 103013 | 0 | None | -2 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 76313457 | 103016 | 0 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085080 | 103016 | 0 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 71450662 | 83592 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 611 | 13 | 4 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2207176 | 83592 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 611 | 13 | 4 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 62705656 | 75797 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3c(Cl)nccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057767 | 75797 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3c(Cl)nccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705656 | 75797 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3c(Cl)nccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057767 | 75797 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 471 | 4 | 0 | 6 | 2.3 | O=C(C1CN(S(=O)(=O)c2cccc3c(Cl)nccc23)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76327903 | 103029 | 0 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 381 | 4 | 0 | 5 | 4.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085093 | 103029 | 0 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 381 | 4 | 0 | 5 | 4.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 71459689 | 83502 | 0 | None | -4 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 595 | 13 | 4 | 5 | 5.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206585 | 83502 | 0 | None | -4 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 595 | 13 | 4 | 5 | 5.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 168272850 | 190068 | 0 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5181618 | 190068 | 0 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 168272850 | 190068 | 0 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5181618 | 190068 | 0 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 44233187 | 85598 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 474 | 8 | 1 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2306159 | 85598 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 474 | 8 | 1 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 145967112 | 163605 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 646 | 15 | 2 | 7 | 7.7 | COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4210274 | 163605 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 646 | 15 | 2 | 7 | 7.7 | COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 10376182 | 58448 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 220 | 4 | 0 | 3 | 1.9 | CCCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168639 | 58448 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 220 | 4 | 0 | 3 | 1.9 | CCCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44590169 | 187660 | 0 | None | -15 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 603 | 11 | 3 | 7 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL499565 | 187660 | 0 | None | -15 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 603 | 11 | 3 | 7 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL539885 | 187660 | 0 | None | -15 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 603 | 11 | 3 | 7 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162659429 | 180653 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 407 | 5 | 0 | 5 | 3.5 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncncc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4761570 | 180653 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 407 | 5 | 0 | 5 | 3.5 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncncc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 159270788 | 182759 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 462 | 5 | 0 | 7 | 3.0 | Cc1cc(F)cnc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4797561 | 182759 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 462 | 5 | 0 | 7 | 3.0 | Cc1cc(F)cnc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162677242 | 182926 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 438 | 5 | 0 | 7 | 3.0 | N#Cc1ccc(C2=CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4799734 | 182926 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 438 | 5 | 0 | 7 | 3.0 | N#Cc1ccc(C2=CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 44589984 | 189964 | 0 | None | -39 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL518001 | 189964 | 0 | None | -39 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 147972789 | 180455 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 464 | 5 | 0 | 7 | 3.2 | Cc1cncc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4759385 | 180455 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 464 | 5 | 0 | 7 | 3.2 | Cc1cncc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162665894 | 181744 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2CC3CCC(C2)N3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4784357 | 181744 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2CC3CCC(C2)N3C(=O)CCS(=O)(=O)c2cccc3ncsc23)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162677242 | 182926 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 438 | 5 | 0 | 7 | 3.0 | N#Cc1ccc(C2=CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4799734 | 182926 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 438 | 5 | 0 | 7 | 3.0 | N#Cc1ccc(C2=CCN(C(=O)CCS(=O)(=O)c3cccc4ncsc34)CC2)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 76309755 | 103014 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085079 | 103014 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 3156646 | 8180 | 9 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 373 | 5 | 1 | 4 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1092460 | 8180 | 9 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 373 | 5 | 1 | 4 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 162659429 | 180653 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 407 | 5 | 0 | 5 | 3.5 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncncc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4761570 | 180653 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 407 | 5 | 0 | 5 | 3.5 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncncc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 62705314 | 75744 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 430 | 4 | 0 | 7 | 0.8 | O=C(C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057505 | 75744 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 430 | 4 | 0 | 7 | 0.8 | O=C(C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705313 | 75743 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 454 | 4 | 0 | 5 | 2.4 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057504 | 75743 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 454 | 4 | 0 | 5 | 2.4 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 62705314 | 75744 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 430 | 4 | 0 | 7 | 0.8 | O=C(C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057505 | 75744 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 430 | 4 | 0 | 7 | 0.8 | O=C(C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76309757 | 103023 | 0 | None | -1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 4 | 0 | 4 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085087 | 103023 | 0 | None | -1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 4 | 0 | 4 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 62705313 | 75743 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 454 | 4 | 0 | 5 | 2.4 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| CHEMBL2057504 | 75743 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 454 | 4 | 0 | 5 | 2.4 | O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1CCN(c2ccncc2)CC1 | 10.1016/j.bmcl.2012.06.018 | ||
| 76309756 | 103019 | 0 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 375 | 4 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085083 | 103019 | 0 | None | 1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 375 | 4 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 147972789 | 180455 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 464 | 5 | 0 | 7 | 3.2 | Cc1cncc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4759385 | 180455 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 464 | 5 | 0 | 7 | 3.2 | Cc1cncc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1 | 10.1021/acsmedchemlett.0c00626 | ||
| 10240891 | 204378 | 0 | None | -4 | 3 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL85678 | 204378 | 0 | None | -4 | 3 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 76309754 | 106039 | 0 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085062 | 106039 | 0 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140260 | 106039 | 0 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 145976876 | 163235 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 618 | 13 | 2 | 7 | 6.9 | COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4205910 | 163235 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 618 | 13 | 2 | 7 | 6.9 | COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 71451569 | 81533 | 3 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 309 | 4 | 0 | 3 | 2.2 | CN1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164902 | 81533 | 3 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 309 | 4 | 0 | 3 | 2.2 | CN1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71451569 | 81533 | 3 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 309 | 4 | 0 | 3 | 2.2 | CN1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164902 | 81533 | 3 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 309 | 4 | 0 | 3 | 2.2 | CN1CCN(C(=O)C(Cc2ccncc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 71457770 | 83513 | 0 | None | -12 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 647 | 10 | 3 | 5 | 6.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC([N+]3(Cc4ccc(Cl)cc4)CCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206600 | 83513 | 0 | None | -12 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 647 | 10 | 3 | 5 | 6.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC([N+]3(Cc4ccc(Cl)cc4)CCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 71451574 | 81545 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 350 | 5 | 0 | 2 | 4.0 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1(C)C | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164918 | 81545 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 350 | 5 | 0 | 2 | 4.0 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1(C)C | 10.1016/j.bmcl.2012.09.011 | ||
| 71455965 | 83506 | 0 | None | -32 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(C(C)C)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206589 | 83506 | 0 | None | -32 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(C(C)C)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 18920353 | 110924 | 1 | None | -1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL327289 | 110924 | 1 | None | -1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL76161 | 110924 | 1 | None | -1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 71451574 | 81545 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 350 | 5 | 0 | 2 | 4.0 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1(C)C | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164918 | 81545 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 350 | 5 | 0 | 2 | 4.0 | CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1(C)C | 10.1016/j.bmcl.2012.09.011 | ||
| 10465524 | 58687 | 0 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C=CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL169011 | 58687 | 0 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C=CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 145978697 | 163058 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 650 | 14 | 2 | 6 | 8.3 | COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| CHEMBL4203672 | 163058 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 650 | 14 | 2 | 6 | 8.3 | COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1 | 10.1016/j.ejmech.2018.02.083 | ||
| 71459691 | 83518 | 0 | None | -63 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 723 | 14 | 4 | 5 | 8.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206605 | 83518 | 0 | None | -63 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 723 | 14 | 4 | 5 | 8.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 71458776 | 81528 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 322 | 4 | 0 | 2 | 3.2 | CN1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164894 | 81528 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 322 | 4 | 0 | 2 | 3.2 | CN1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 162661651 | 180833 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 5 | 0 | 4 | 3.6 | O=C(CCCc1cccc2ncccc12)N1CC2CC1CN2c1ccc(F)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4763794 | 180833 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 5 | 0 | 4 | 3.6 | O=C(CCCc1cccc2ncccc12)N1CC2CC1CN2c1ccc(F)cn1 | 10.1021/acsmedchemlett.0c00626 | ||
| 71716774 | 86140 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 450 | 4 | 1 | 4 | 4.8 | O=c1[nH]c2ccccc2n1C1CCN(C2CC3CCC(C2)N3Cc2ccccc2Cl)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315681 | 86140 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 450 | 4 | 1 | 4 | 4.8 | O=c1[nH]c2ccccc2n1C1CCN(C2CC3CCC(C2)N3Cc2ccccc2Cl)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 71716775 | 86141 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 4.2 | O=c1[nH]c2ccccc2n1C1CCN(C2CC3CCC(C2)N3Cc2ccccc2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315682 | 86141 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 4.2 | O=c1[nH]c2ccccc2n1C1CCN(C2CC3CCC(C2)N3Cc2ccccc2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 10397133 | 106579 | 1 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL315676 | 106579 | 1 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 1090202 | 8406 | 11 | None | -1 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1094003 | 8406 | 11 | None | -1 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 10262405 | 57292 | 0 | None | 2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 1.5 | CCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL166782 | 57292 | 0 | None | 2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 1.5 | CCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44232952 | 102908 | 0 | None | - | 0 | Human | 10.8 | pKd | = | 10.8 | Functional | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084650 | 102908 | 0 | None | - | 0 | Human | 10.8 | pKd | = | 10.8 | Functional | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 25034182 | 172015 | 0 | None | - | 0 | Human | 9.9 | pKd | = | 9.9 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL448870 | 172015 | 0 | None | - | 0 | Human | 9.9 | pKd | = | 9.9 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL540359 | 172015 | 0 | None | - | 0 | Human | 9.9 | pKd | = | 9.9 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| 11504490 | 192003 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1016/j.bmcl.2009.01.098 | ||
| CHEMBL521523 | 192003 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1016/j.bmcl.2009.01.098 | ||
| 69058946 | 105993 | 0 | None | - | 0 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084658 | 105993 | 0 | None | - | 0 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3140110 | 105993 | 0 | None | - | 0 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 11519069 | 3876 | 2 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 11519070 | 3876 | 2 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 4816 | 3876 | 2 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 7354 | 3876 | 2 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| CHEMBL1187833 | 3876 | 2 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| DB09076 | 3876 | 2 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 25034186 | 199753 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 722 | 11 | 4 | 8 | 7.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| CHEMBL540396 | 199753 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 722 | 11 | 4 | 8 | 7.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| CHEMBL604842 | 199753 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 722 | 11 | 4 | 8 | 7.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| 66875589 | 102915 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084662 | 102915 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 25034184 | 187813 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 676 | 11 | 4 | 7 | 6.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| CHEMBL501803 | 187813 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 676 | 11 | 4 | 7 | 6.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| CHEMBL539887 | 187813 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 676 | 11 | 4 | 7 | 6.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| 25132856 | 186633 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 515 | 8 | 3 | 5 | 3.6 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL492437 | 186633 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 515 | 8 | 3 | 5 | 3.6 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| 11365314 | 186769 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 473 | 8 | 2 | 4 | 4.8 | CCC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | ||
| CHEMBL493266 | 186769 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 473 | 8 | 2 | 4 | 4.8 | CCC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | ||
| 44233190 | 102927 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084679 | 102927 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 44233192 | 106000 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084643 | 106000 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3140141 | 106000 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 11556983 | 186782 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL493331 | 186782 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL538864 | 186782 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL555476 | 186782 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| 14460961 | 119783 | 1 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 309 | 2 | 0 | 3 | 3.4 | CN1CCC2(CC1)COC(c1ccccc1)(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL352638 | 119783 | 1 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 309 | 2 | 0 | 3 | 3.4 | CN1CCC2(CC1)COC(c1ccccc1)(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| 44589578 | 172599 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL452193 | 172599 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540401 | 172599 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1 | 10.1016/j.bmcl.2008.09.020 | ||
| 154734599 | 2467 | 8 | None | - | 5 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 327 | 2467 | 8 | None | - | 5 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 4108 | 2467 | 8 | None | - | 5 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| CHEMBL27673 | 2467 | 8 | None | - | 5 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 25034182 | 172015 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL448870 | 172015 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540359 | 172015 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589581 | 188202 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 615 | 12 | 5 | 6 | 4.9 | C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL505751 | 188202 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 615 | 12 | 5 | 6 | 4.9 | C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540145 | 188202 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 615 | 12 | 5 | 6 | 4.9 | C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589577 | 188381 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL508343 | 188381 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540146 | 188381 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1 | 10.1016/j.bmcl.2008.09.020 | ||
| 11753447 | 186768 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 459 | 7 | 2 | 4 | 4.4 | CC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | ||
| CHEMBL493265 | 186768 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 459 | 7 | 2 | 4 | 4.4 | CC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | ||
| 11504490 | 192003 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL521523 | 192003 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| 44589580 | 172577 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 635 | 10 | 5 | 7 | 5.3 | C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL452142 | 172577 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 635 | 10 | 5 | 7 | 5.3 | C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL553448 | 172577 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 635 | 10 | 5 | 7 | 5.3 | C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| 10055202 | 11428 | 1 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 667 | 27 | 0 | 6 | 7.6 | COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC | 10.1021/jm9810452 | ||
| CHEMBL11805 | 11428 | 1 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 667 | 27 | 0 | 6 | 7.6 | COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC | 10.1021/jm9810452 | ||
| 11691950 | 12653 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| CHEMBL1187853 | 12653 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| CHEMBL524097 | 12653 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| 44589579 | 188467 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 595 | 10 | 5 | 7 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL509515 | 188467 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 595 | 10 | 5 | 7 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540148 | 188467 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 595 | 10 | 5 | 7 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589582 | 171075 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 577 | 12 | 4 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL446587 | 171075 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 577 | 12 | 4 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL550885 | 171075 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 577 | 12 | 4 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 13672945 | 58194 | 0 | None | - | 0 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 233 | 1 | 0 | 3 | 2.2 | CN1CCC2(CC1)COC(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168348 | 58194 | 0 | None | - | 0 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 233 | 1 | 0 | 3 | 2.2 | CN1CCC2(CC1)COC(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| 11249888 | 186794 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 442 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C#N)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL493465 | 186794 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 442 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C#N)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| 16042745 | 184719 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 551 | 8 | 4 | 5 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL485932 | 184719 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 551 | 8 | 4 | 5 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL538360 | 184719 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 551 | 8 | 4 | 5 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589576 | 188469 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 588 | 10 | 6 | 5 | 3.9 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL509520 | 188469 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 588 | 10 | 6 | 5 | 3.9 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555706 | 188469 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 588 | 10 | 6 | 5 | 3.9 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 174174 | 519 | 46 | None | - | 7 | Rat | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| 260 | 519 | 46 | None | - | 7 | Rat | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| 320 | 519 | 46 | None | - | 7 | Rat | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| CHEMBL517712 | 519 | 46 | None | - | 7 | Rat | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| DB00572 | 519 | 46 | None | - | 7 | Rat | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| 14460961 | 119783 | 1 | None | - | 0 | Rat | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 309 | 2 | 0 | 3 | 3.4 | CN1CCC2(CC1)COC(c1ccccc1)(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL352638 | 119783 | 1 | None | - | 0 | Rat | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 309 | 2 | 0 | 3 | 3.4 | CN1CCC2(CC1)COC(c1ccccc1)(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| 10419612 | 99720 | 3 | None | - | 0 | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | CC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL288113 | 99720 | 3 | None | - | 0 | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | CC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 10361564 | 51017 | 0 | None | - | 0 | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 366 | 5 | 0 | 4 | 4.1 | Cn1c(=O)sc2cc(CCN3CCC(Cc4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| CHEMBL15809 | 51017 | 0 | None | - | 0 | Rat | 7.0 | pKi | = | 7 | Functional | ChEMBL | 366 | 5 | 0 | 4 | 4.1 | Cn1c(=O)sc2cc(CCN3CCC(Cc4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| 126534771 | 138064 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 424 | 7 | 0 | 8 | 3.5 | Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4)C3C2)n1C | 10.1016/j.bmc.2016.02.031 | ||
| CHEMBL3775589 | 138064 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 424 | 7 | 0 | 8 | 3.5 | Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4)C3C2)n1C | 10.1016/j.bmc.2016.02.031 | ||
| 17867054 | 48676 | 0 | None | - | 0 | Rat | 6.0 | pKi | = | 6 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| CHEMBL15601 | 48676 | 0 | None | - | 0 | Rat | 6.0 | pKi | = | 6 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.3 | Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| 9863340 | 161478 | 0 | None | - | 0 | Rat | 6.0 | pKi | = | 6 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 4.0 | Cn1c(=O)sc2cc(CCN3CCC(c4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| CHEMBL415985 | 161478 | 0 | None | - | 0 | Rat | 6.0 | pKi | = | 6 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 4.0 | Cn1c(=O)sc2cc(CCN3CCC(c4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| 22413499 | 52408 | 0 | None | - | 0 | Rat | 5.0 | pKi | = | 5 | Functional | ChEMBL | 395 | 7 | 0 | 5 | 3.7 | Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| CHEMBL15941 | 52408 | 0 | None | - | 0 | Rat | 5.0 | pKi | = | 5 | Functional | ChEMBL | 395 | 7 | 0 | 5 | 3.7 | Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| 126533969 | 137939 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 427 | 7 | 0 | 7 | 3.4 | Cn1c(SCCCN2CC3CCN(c4ccccc4)C3C2)nnc1C1CCOCC1 | 10.1016/j.bmc.2016.02.031 | ||
| CHEMBL3774649 | 137939 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 427 | 7 | 0 | 7 | 3.4 | Cn1c(SCCCN2CC3CCN(c4ccccc4)C3C2)nnc1C1CCOCC1 | 10.1016/j.bmc.2016.02.031 | ||
| 11630045 | 73609 | 1 | None | - | 0 | Rat | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | C[C@H]1OC2(CS1)CN1CCC2CC1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL2021361 | 73609 | 1 | None | - | 0 | Rat | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | C[C@H]1OC2(CS1)CN1CCC2CC1 | 10.1016/S0960-894X(00)80537-5 | ||
| 126534373 | 138017 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 510 | 7 | 0 | 8 | 4.6 | Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4F)C3C2)n1C | 10.1016/j.bmc.2016.02.031 | ||
| CHEMBL3775226 | 138017 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 510 | 7 | 0 | 8 | 4.6 | Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4F)C3C2)n1C | 10.1016/j.bmc.2016.02.031 | ||
| 9308 | 17572 | 16 | None | -11 | 9 | Rat | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL1255785 | 17572 | 16 | None | -11 | 9 | Rat | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL12587 | 17572 | 16 | None | -11 | 9 | Rat | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL292911 | 17572 | 16 | None | -11 | 9 | Rat | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/S0960-894X(00)80537-5 | ||
| 14460963 | 120218 | 0 | None | - | 0 | Rat | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 157 | 0 | 0 | 3 | 0.5 | CN1CCC2(CC1)COCO2 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL354854 | 120218 | 0 | None | - | 0 | Rat | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 157 | 0 | 0 | 3 | 0.5 | CN1CCC2(CC1)COCO2 | 10.1016/S0960-894X(00)80537-5 | ||
| 3065187 | 57806 | 2 | None | - | 0 | Rat | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | C[C@@H]1OC2(CS1)CN1CCC2CC1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL167593 | 57806 | 2 | None | - | 0 | Rat | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | C[C@@H]1OC2(CS1)CN1CCC2CC1 | 10.1016/S0960-894X(00)80537-5 | ||
| 13672942 | 36160 | 3 | None | - | 0 | Rat | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 185 | 1 | 0 | 3 | 1.2 | CCC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL144679 | 36160 | 3 | None | - | 0 | Rat | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 185 | 1 | 0 | 3 | 1.2 | CCC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304424 | 143312 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 495 | 7 | 0 | 7 | 5.3 | Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3901587 | 143312 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 495 | 7 | 0 | 7 | 5.3 | Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| 13672931 | 168487 | 5 | None | - | 0 | Rat | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 157 | 0 | 1 | 3 | 0.5 | CC1OCC2(CCNCC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL439621 | 168487 | 5 | None | - | 0 | Rat | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 157 | 0 | 1 | 3 | 0.5 | CC1OCC2(CCNCC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 129993 | 100062 | 6 | None | - | 0 | Rat | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CN3CCC2CC3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL291280 | 100062 | 6 | None | - | 0 | Rat | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CN3CCC2CC3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304477 | 151639 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 487 | 7 | 0 | 6 | 5.6 | Cc1ncccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3968272 | 151639 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 487 | 7 | 0 | 6 | 5.6 | Cc1ncccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| 121304464 | 143812 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 480 | 7 | 0 | 8 | 4.7 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1csnn1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3905582 | 143812 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 480 | 7 | 0 | 8 | 4.7 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1csnn1 | 10.1021/acs.jmedchem.6b00972 | ||
| 121304598 | 144713 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 535 | 8 | 1 | 6 | 5.4 | CC(=O)NC1CCC(c2nnc(SCCCN3CC[C@]4(C[C@@H]4c4ccc(C(F)(F)F)cc4)C3)n2C)CC1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3912801 | 144713 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 535 | 8 | 1 | 6 | 5.4 | CC(=O)NC1CCC(c2nnc(SCCCN3CC[C@]4(C[C@@H]4c4ccc(C(F)(F)F)cc4)C3)n2C)CC1 | 10.1021/acs.jmedchem.6b00972 | ||
| 126534204 | 137903 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 504 | 7 | 1 | 7 | 3.9 | Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1 | 10.1016/j.bmc.2016.02.031 | ||
| CHEMBL3774411 | 137903 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 504 | 7 | 1 | 7 | 3.9 | Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1 | 10.1016/j.bmc.2016.02.031 | ||
| 44380027 | 119920 | 0 | None | - | 0 | Rat | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 195 | 0 | 0 | 3 | 0.9 | CC1C(=O)CC2(CCN(C)CC2)C1=O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL353781 | 119920 | 0 | None | - | 0 | Rat | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 195 | 0 | 0 | 3 | 0.9 | CC1C(=O)CC2(CCN(C)CC2)C1=O | 10.1016/S0960-894X(00)80537-5 | ||
| 13672950 | 57799 | 0 | None | - | 0 | Rat | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 157 | 0 | 0 | 3 | 0.5 | C[C@@H]1OCC2(CCN(C)C2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL167501 | 57799 | 0 | None | - | 0 | Rat | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 157 | 0 | 0 | 3 | 0.5 | C[C@@H]1OCC2(CCN(C)C2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 44379808 | 58976 | 0 | None | - | 0 | Rat | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C[C@@H]1OCC2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL170489 | 58976 | 0 | None | - | 0 | Rat | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C[C@@H]1OCC2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 13689703 | 165075 | 0 | None | - | 0 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 187 | 0 | 0 | 3 | 1.6 | CC1OC2(CCN(C)CC2)CS1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL424360 | 165075 | 0 | None | - | 0 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 187 | 0 | 0 | 3 | 1.6 | CC1OC2(CCN(C)CC2)CS1 | 10.1016/S0960-894X(00)80537-5 | ||
| 44354733 | 25027 | 0 | None | - | 0 | Rat | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C[C@H]1OCC2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL134830 | 25027 | 0 | None | - | 0 | Rat | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C[C@H]1OCC2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 3009356 | 105144 | 1 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 543 | 6 | 0 | 5 | 5.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| CHEMBL312344 | 105144 | 1 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 543 | 6 | 0 | 5 | 5.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| 44379868 | 58951 | 0 | None | - | 0 | Rat | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | CC1OC[C@@]2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL170388 | 58951 | 0 | None | - | 0 | Rat | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | CC1OC[C@@]2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL2371594 | 208358 | 0 | None | - | 0 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N2C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)O)Cc3ccccc32)NC1=O | 10.1016/S0960-894X(00)80537-5 | ||||
| 21474204 | 54489 | 0 | None | - | 0 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 394 | 7 | 0 | 4 | 4.9 | Cn1c(=O)sc2cc(CCCCN3CCC(Cc4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| CHEMBL16123 | 54489 | 0 | None | - | 0 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 394 | 7 | 0 | 4 | 4.9 | Cn1c(=O)sc2cc(CCCCN3CCC(Cc4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| 14460969 | 58440 | 0 | None | - | 0 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 186 | 0 | 0 | 2 | 1.0 | CC1OCC2(CC[N+](C)(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168609 | 58440 | 0 | None | - | 0 | Rat | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 186 | 0 | 0 | 2 | 1.0 | CC1OCC2(CC[N+](C)(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 657347 | 5007 | 2 | None | 10 | 2 | Rat | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL105457 | 5007 | 2 | None | 10 | 2 | Rat | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL387632 | 5007 | 2 | None | 10 | 2 | Rat | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 13690090 | 57277 | 0 | None | - | 0 | Rat | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 203 | 0 | 0 | 3 | 2.3 | CC1SCC2(CCN(C)CC2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL166695 | 57277 | 0 | None | - | 0 | Rat | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 203 | 0 | 0 | 3 | 2.3 | CC1SCC2(CCN(C)CC2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304538 | 149473 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 516 | 8 | 1 | 7 | 4.4 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3950254 | 149473 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 516 | 8 | 1 | 7 | 4.4 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1 | 10.1021/acs.jmedchem.6b00972 | ||
| 44380117 | 58472 | 0 | None | - | 0 | Rat | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168755 | 58472 | 0 | None | - | 0 | Rat | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304500 | 149222 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 480 | 7 | 0 | 6 | 5.1 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCOCC1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3948167 | 149222 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 480 | 7 | 0 | 6 | 5.1 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCOCC1 | 10.1021/acs.jmedchem.6b00972 | ||
| 121304441 | 151852 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 515 | 8 | 1 | 6 | 5.0 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccc(C(N)=O)c1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3970323 | 151852 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 515 | 8 | 1 | 6 | 5.0 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccc(C(N)=O)c1 | 10.1021/acs.jmedchem.6b00972 | ||
| 13689703 | 165075 | 0 | None | - | 0 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 187 | 0 | 0 | 3 | 1.6 | CC1OC2(CCN(C)CC2)CS1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL424360 | 165075 | 0 | None | - | 0 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 187 | 0 | 0 | 3 | 1.6 | CC1OC2(CCN(C)CC2)CS1 | 10.1016/S0960-894X(00)80537-5 | ||
| 13672945 | 58194 | 0 | None | - | 0 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 233 | 1 | 0 | 3 | 2.2 | CN1CCC2(CC1)COC(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168348 | 58194 | 0 | None | - | 0 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 233 | 1 | 0 | 3 | 2.2 | CN1CCC2(CC1)COC(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| 14460959 | 58438 | 0 | None | - | 0 | Rat | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 181 | 0 | 0 | 3 | 0.5 | C#CC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168595 | 58438 | 0 | None | - | 0 | Rat | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 181 | 0 | 0 | 3 | 0.5 | C#CC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 44379868 | 58951 | 0 | None | - | 0 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | CC1OC[C@@]2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL170388 | 58951 | 0 | None | - | 0 | Rat | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | CC1OC[C@@]2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 14460959 | 58438 | 0 | None | - | 0 | Rat | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 181 | 0 | 0 | 3 | 0.5 | C#CC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168595 | 58438 | 0 | None | - | 0 | Rat | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 181 | 0 | 0 | 3 | 0.5 | C#CC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304574 | 142501 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 503 | 7 | 0 | 7 | 4.6 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccn(C)c(=O)c1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3894853 | 142501 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 503 | 7 | 0 | 7 | 4.6 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccn(C)c(=O)c1 | 10.1021/acs.jmedchem.6b00972 | ||
| 121304485 | 147643 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 477 | 7 | 0 | 7 | 5.2 | Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3935692 | 147643 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 477 | 7 | 0 | 7 | 5.2 | Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| 13689695 | 58585 | 0 | None | - | 0 | Rat | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 187 | 0 | 0 | 3 | 1.6 | CC1OCC2(CCN(C)CC2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168897 | 58585 | 0 | None | - | 0 | Rat | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 187 | 0 | 0 | 3 | 1.6 | CC1OCC2(CCN(C)CC2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304649 | 150112 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 495 | 7 | 0 | 7 | 5.3 | Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3955505 | 150112 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 495 | 7 | 0 | 7 | 5.3 | Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| 134134147 | 142842 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 489 | 7 | 0 | 6 | 4.6 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1=CC=NC(=O)C1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3897772 | 142842 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 489 | 7 | 0 | 6 | 4.6 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1=CC=NC(=O)C1 | 10.1021/acs.jmedchem.6b00972 | ||
| 126535075 | 137950 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 518 | 7 | 0 | 8 | 3.9 | Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccc(=O)n(C)c1 | 10.1016/j.bmc.2016.02.031 | ||
| CHEMBL3774769 | 137950 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 518 | 7 | 0 | 8 | 3.9 | Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccc(=O)n(C)c1 | 10.1016/j.bmc.2016.02.031 | ||
| 121304609 | 152428 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 495 | 7 | 0 | 7 | 5.3 | Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3975147 | 152428 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 495 | 7 | 0 | 7 | 5.3 | Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| 3009352 | 96191 | 1 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 517 | 5 | 0 | 5 | 5.3 | CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| CHEMBL263555 | 96191 | 1 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 517 | 5 | 0 | 5 | 5.3 | CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| CHEMBL5088467 | 213387 | 5 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | None | None | None | Cc1cnc2c(-c3ccc(C(=O)N(c4ncccc4C)[C@@H]4CCCNC4)cc3F)cnn2c1 | 10.1021/acsmedchemlett.1c00396 | ||||
| 44380027 | 119920 | 0 | None | - | 0 | Rat | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 195 | 0 | 0 | 3 | 0.9 | CC1C(=O)CC2(CCN(C)CC2)C1=O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL353781 | 119920 | 0 | None | - | 0 | Rat | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 195 | 0 | 0 | 3 | 0.9 | CC1C(=O)CC2(CCN(C)CC2)C1=O | 10.1016/S0960-894X(00)80537-5 | ||
| 11630045 | 73609 | 1 | None | - | 0 | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | C[C@H]1OC2(CS1)CN1CCC2CC1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL2021361 | 73609 | 1 | None | - | 0 | Rat | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | C[C@H]1OC2(CS1)CN1CCC2CC1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304408 | 143022 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 515 | 8 | 1 | 6 | 5.0 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3899125 | 143022 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 515 | 8 | 1 | 6 | 5.0 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1 | 10.1021/acs.jmedchem.6b00972 | ||
| 121304590 | 144825 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 477 | 7 | 0 | 7 | 5.2 | Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3913607 | 144825 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 477 | 7 | 0 | 7 | 5.2 | Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| 134150754 | 151197 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 489 | 7 | 0 | 6 | 4.6 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1=CCC(=O)N=C1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3964512 | 151197 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 489 | 7 | 0 | 6 | 4.6 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1=CCC(=O)N=C1 | 10.1021/acs.jmedchem.6b00972 | ||
| 10027435 | 47231 | 0 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 463 | 7 | 0 | 5 | 5.0 | Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| CHEMBL15456 | 47231 | 0 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 463 | 7 | 0 | 5 | 5.0 | Cn1c(=O)sc2cc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| 15288693 | 52578 | 0 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 367 | 5 | 0 | 5 | 3.0 | Cn1c(=O)sc2cc(CCN3CCN(Cc4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| CHEMBL15955 | 52578 | 0 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 367 | 5 | 0 | 5 | 3.0 | Cn1c(=O)sc2cc(CCN3CCN(Cc4ccccc4)CC3)ccc21 | 10.1016/s0960-894x(02)00123-3 | ||
| 14460969 | 58440 | 0 | None | - | 0 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 186 | 0 | 0 | 2 | 1.0 | CC1OCC2(CC[N+](C)(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168609 | 58440 | 0 | None | - | 0 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 186 | 0 | 0 | 2 | 1.0 | CC1OCC2(CC[N+](C)(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304654 | 148345 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 530 | 8 | 1 | 7 | 4.7 | Cc1nc(C(N)=O)ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3941520 | 148345 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 530 | 8 | 1 | 7 | 4.7 | Cc1nc(C(N)=O)ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| 3065187 | 57806 | 2 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | C[C@@H]1OC2(CS1)CN1CCC2CC1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL167593 | 57806 | 2 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | C[C@@H]1OC2(CS1)CN1CCC2CC1 | 10.1016/S0960-894X(00)80537-5 | ||
| 13690090 | 57277 | 0 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 203 | 0 | 0 | 3 | 2.3 | CC1SCC2(CCN(C)CC2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL166695 | 57277 | 0 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 203 | 0 | 0 | 3 | 2.3 | CC1SCC2(CCN(C)CC2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| 9860700 | 57256 | 1 | None | - | 0 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | C[C@H]1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL166452 | 57256 | 1 | None | - | 0 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | C[C@H]1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 13672950 | 57799 | 0 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 157 | 0 | 0 | 3 | 0.5 | C[C@@H]1OCC2(CCN(C)C2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL167501 | 57799 | 0 | None | - | 0 | Rat | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 157 | 0 | 0 | 3 | 0.5 | C[C@@H]1OCC2(CCN(C)C2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304867 | 153665 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 495 | 7 | 0 | 7 | 5.3 | Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3985877 | 153665 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 495 | 7 | 0 | 7 | 5.3 | Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| 9308 | 17572 | 16 | None | -11 | 9 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL1255785 | 17572 | 16 | None | -11 | 9 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL12587 | 17572 | 16 | None | -11 | 9 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL292911 | 17572 | 16 | None | -11 | 9 | Rat | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/S0960-894X(00)80537-5 | ||
| 483747 | 104930 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| CHEMBL311795 | 104930 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| 10419612 | 99720 | 3 | None | - | 0 | Rat | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | CC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL288113 | 99720 | 3 | None | - | 0 | Rat | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | CC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 70683395 | 73608 | 0 | None | - | 0 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 173 | 0 | 0 | 3 | 1.2 | C[C@H]1OC2(CCN(C)C2)CS1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL2021360 | 73608 | 0 | None | - | 0 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 173 | 0 | 0 | 3 | 1.2 | C[C@H]1OC2(CCN(C)C2)CS1 | 10.1016/S0960-894X(00)80537-5 | ||
| 657347 | 5007 | 2 | None | 10 | 2 | Rat | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL105457 | 5007 | 2 | None | 10 | 2 | Rat | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL387632 | 5007 | 2 | None | 10 | 2 | Rat | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 3009353 | 167462 | 1 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 531 | 6 | 0 | 5 | 5.7 | CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| CHEMBL432170 | 167462 | 1 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 531 | 6 | 0 | 5 | 5.7 | CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| 13672945 | 58194 | 0 | None | - | 0 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 233 | 1 | 0 | 3 | 2.2 | CN1CCC2(CC1)COC(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168348 | 58194 | 0 | None | - | 0 | Rat | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 233 | 1 | 0 | 3 | 2.2 | CN1CCC2(CC1)COC(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| 126534291 | 138012 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 488 | 7 | 0 | 7 | 4.6 | Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1cccnc1 | 10.1016/j.bmc.2016.02.031 | ||
| CHEMBL3775197 | 138012 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 488 | 7 | 0 | 7 | 4.6 | Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1cccnc1 | 10.1016/j.bmc.2016.02.031 | ||
| 44379808 | 58976 | 0 | None | - | 0 | Rat | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C[C@@H]1OCC2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL170489 | 58976 | 0 | None | - | 0 | Rat | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C[C@@H]1OCC2(CN3CCC2C3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 134150637 | 151033 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 522 | 7 | 1 | 6 | 4.5 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCN(C(N)=O)CC1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3963243 | 151033 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 522 | 7 | 1 | 6 | 4.5 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCN(C(N)=O)CC1 | 10.1021/acs.jmedchem.6b00972 | ||
| 70683395 | 73608 | 0 | None | - | 0 | Rat | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 173 | 0 | 0 | 3 | 1.2 | C[C@H]1OC2(CCN(C)C2)CS1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL2021360 | 73608 | 0 | None | - | 0 | Rat | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 173 | 0 | 0 | 3 | 1.2 | C[C@H]1OC2(CCN(C)C2)CS1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304452 | 148386 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 539 | 8 | 0 | 7 | 6.5 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2ncco2)cc1 | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3941818 | 148386 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 539 | 8 | 0 | 7 | 6.5 | Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2ncco2)cc1 | 10.1021/acs.jmedchem.6b00972 | ||
| 13689695 | 58585 | 0 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 187 | 0 | 0 | 3 | 1.6 | CC1OCC2(CCN(C)CC2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168897 | 58585 | 0 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 187 | 0 | 0 | 3 | 1.6 | CC1OCC2(CCN(C)CC2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| 121304458 | 153455 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 409 | 7 | 0 | 7 | 4.1 | Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccccc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| CHEMBL3983937 | 153455 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 409 | 7 | 0 | 7 | 4.1 | Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccccc3)C2)n1C | 10.1021/acs.jmedchem.6b00972 | ||
| 13672942 | 36160 | 3 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 185 | 1 | 0 | 3 | 1.2 | CCC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL144679 | 36160 | 3 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 185 | 1 | 0 | 3 | 1.2 | CCC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 44380028 | 167708 | 0 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 1.3 | CCC1C(=O)CC2(CCN(C)CC2)C1=O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL433912 | 167708 | 0 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 1.3 | CCC1C(=O)CC2(CCN(C)CC2)C1=O | 10.1016/S0960-894X(00)80537-5 | ||
| 44380117 | 58472 | 0 | None | - | 0 | Rat | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168755 | 58472 | 0 | None | - | 0 | Rat | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 14460961 | 119783 | 1 | None | - | 0 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 309 | 2 | 0 | 3 | 3.4 | CN1CCC2(CC1)COC(c1ccccc1)(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL352638 | 119783 | 1 | None | - | 0 | Rat | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 309 | 2 | 0 | 3 | 3.4 | CN1CCC2(CC1)COC(c1ccccc1)(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| 9860700 | 57256 | 1 | None | - | 0 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | C[C@H]1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL166452 | 57256 | 1 | None | - | 0 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 171 | 0 | 0 | 3 | 0.8 | C[C@H]1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 44380028 | 167708 | 0 | None | - | 0 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 1.3 | CCC1C(=O)CC2(CCN(C)CC2)C1=O | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL433912 | 167708 | 0 | None | - | 0 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 209 | 1 | 0 | 3 | 1.3 | CCC1C(=O)CC2(CCN(C)CC2)C1=O | 10.1016/S0960-894X(00)80537-5 | ||
| 44380061 | 58461 | 0 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 187 | 1 | 0 | 4 | 0.4 | COC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL168685 | 58461 | 0 | None | - | 0 | Rat | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 187 | 1 | 0 | 4 | 0.4 | COC1OCC2(CCN(C)CC2)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 129993 | 100062 | 6 | None | - | 0 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CN3CCC2CC3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL291280 | 100062 | 6 | None | - | 0 | Rat | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CN3CCC2CC3)O1 | 10.1016/S0960-894X(00)80537-5 | ||
| 70693900 | 73606 | 0 | None | - | 0 | Rat | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 173 | 0 | 0 | 3 | 1.2 | C[C@@H]1OCC2(CCN(C)C2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL2021359 | 73606 | 0 | None | - | 0 | Rat | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 173 | 0 | 0 | 3 | 1.2 | C[C@@H]1OCC2(CCN(C)C2)S1 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL2371594 | 208358 | 0 | None | - | 0 | Rat | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N2C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)O)Cc3ccccc32)NC1=O | 10.1016/S0960-894X(00)80537-5 | ||||
| 2293 | 3137 | 23 | None | 2344 | 2 | Rat | 9.0 | pPotency | = | 9 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| 329 | 3137 | 23 | None | 2344 | 2 | Rat | 9.0 | pPotency | = | 9 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| 4934 | 3137 | 23 | None | 2344 | 2 | Rat | 9.0 | pPotency | = | 9 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| CHEMBL1180725 | 3137 | 23 | None | 2344 | 2 | Rat | 9.0 | pPotency | = | 9 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| DB00782 | 3137 | 23 | None | 2344 | 2 | Rat | 9.0 | pPotency | = | 9 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| 1550101 | 34839 | 3 | None | - | 1 | Rat | 9.0 | pPotency | = | 9 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1433395 | 34839 | 3 | None | - | 1 | Rat | 9.0 | pPotency | = | 9 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1515314 | 34839 | 3 | None | - | 1 | Rat | 9.0 | pPotency | = | 9 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| 637577 | 28626 | 11 | None | - | 1 | Rat | 9.0 | pPotency | = | 9.0 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1379091 | 28626 | 11 | None | - | 1 | Rat | 9.0 | pPotency | = | 9.0 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| 6603883 | 52074 | 1 | None | - | 1 | Rat | 9.0 | pPotency | = | 9.0 | Functional | ChEMBL | 332 | 5 | 1 | 3 | 3.1 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C(=O)O[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1589727 | 52074 | 1 | None | - | 1 | Rat | 9.0 | pPotency | = | 9.0 | Functional | ChEMBL | 332 | 5 | 1 | 3 | 3.1 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C(=O)O[C@@H](CO)c1ccccc1)C2 | nan | ||
| 4493 | 18333 | 95 | None | -1 | 3 | Rat | 8.8 | pPotency | = | 8.8 | Functional | ChEMBL | 317 | 2 | 1 | 4 | 2.4 | CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O | nan | ||
| CHEMBL1274 | 18333 | 95 | None | -1 | 3 | Rat | 8.8 | pPotency | = | 8.8 | Functional | ChEMBL | 317 | 2 | 1 | 4 | 2.4 | CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O | nan | ||
| 4477 | 36306 | 87 | None | 6 | 2 | Rat | 8.7 | pPotency | = | 8.7 | Functional | ChEMBL | 326 | 3 | 2 | 4 | 3.9 | O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O | nan | ||
| CHEMBL1448 | 36306 | 87 | None | 6 | 2 | Rat | 8.7 | pPotency | = | 8.7 | Functional | ChEMBL | 326 | 3 | 2 | 4 | 3.9 | O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O | nan | ||
| 637577 | 28626 | 11 | None | - | 1 | Rat | 8.0 | pPotency | = | 8 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1379091 | 28626 | 11 | None | - | 1 | Rat | 8.0 | pPotency | = | 8 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| 3423 | 205623 | 48 | None | 501 | 3 | Rat | 8.0 | pPotency | = | 8 | Functional | ChEMBL | 347 | 5 | 1 | 3 | 4.2 | COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 | nan | ||
| CHEMBL93655 | 205623 | 48 | None | 501 | 3 | Rat | 8.0 | pPotency | = | 8 | Functional | ChEMBL | 347 | 5 | 1 | 3 | 4.2 | COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 | nan | ||
| 303 | 2930 | 16 | None | 69 | 6 | Rat | 8.0 | pPotency | = | 8 | Functional | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | nan | ||
| 4629 | 2930 | 16 | None | 69 | 6 | Rat | 8.0 | pPotency | = | 8 | Functional | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | nan | ||
| 8595 | 2930 | 16 | None | 69 | 6 | Rat | 8.0 | pPotency | = | 8 | Functional | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | nan | ||
| CHEMBL44674 | 2930 | 16 | None | 69 | 6 | Rat | 8.0 | pPotency | = | 8 | Functional | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | nan | ||
| 5 | 139 | 66 | None | -2818 | 27 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | nan | ||
| 5202 | 139 | 66 | None | -2818 | 27 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | nan | ||
| CHEMBL39 | 139 | 66 | None | -2818 | 27 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | nan | ||
| DB08839 | 139 | 66 | None | -2818 | 27 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | nan | ||
| 2200 | 3082 | 38 | None | -6 | 10 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| 328 | 3082 | 38 | None | -6 | 10 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| 4848 | 3082 | 38 | None | -6 | 10 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| CHEMBL9967 | 3082 | 38 | None | -6 | 10 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| DB00670 | 3082 | 38 | None | -6 | 10 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| 1922 | 3481 | 34 | None | - | 1 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 331 | 0 | 2 | 3 | 3.2 | CC(=O)NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 4336830 | 3481 | 34 | None | - | 1 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 331 | 0 | 2 | 3 | 3.2 | CC(=O)NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| CHEMBL112816 | 3481 | 34 | None | - | 1 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 331 | 0 | 2 | 3 | 3.2 | CC(=O)NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 2576 | 16266 | 60 | None | 6 | 2 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 260 | 7 | 2 | 4 | 2.0 | CCCC(C)(COC(N)=O)COC(=O)NC(C)C | nan | ||
| CHEMBL1233 | 16266 | 60 | None | 6 | 2 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 260 | 7 | 2 | 4 | 2.0 | CCCC(C)(COC(N)=O)COC(=O)NC(C)C | nan | ||
| 1893 | 93329 | 130 | None | 251 | 3 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 163 | 1 | 1 | 3 | 1.5 | O=[N+]([O-])c1cccc2cn[nH]c12 | nan | ||
| CHEMBL247378 | 93329 | 130 | None | 251 | 3 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 163 | 1 | 1 | 3 | 1.5 | O=[N+]([O-])c1cccc2cn[nH]c12 | nan | ||
| 4838 | 118056 | 31 | None | 63 | 2 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 165 | 1 | 2 | 3 | -0.4 | O=S(=O)(O)C1CCNCC1 | nan | ||
| CHEMBL34155 | 118056 | 31 | None | 63 | 2 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 165 | 1 | 2 | 3 | -0.4 | O=S(=O)(O)C1CCNCC1 | nan | ||
| 448949 | 120279 | 83 | None | 5 | 3 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 355 | 2 | 3 | 3 | 5.2 | O=Nc1c(-c2c(O)[nH]c3cc(Br)ccc23)[nH]c2ccccc12 | nan | ||
| CHEMBL355496 | 120279 | 83 | None | 5 | 3 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 355 | 2 | 3 | 3 | 5.2 | O=Nc1c(-c2c(O)[nH]c3cc(Br)ccc23)[nH]c2ccccc12 | nan | ||
| 2801 | 161325 | 56 | None | -275 | 24 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161325 | 56 | None | -275 | 24 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161325 | 56 | None | -275 | 24 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 135398737 | 944 | 89 | None | -28 | 36 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 944 | 89 | None | -28 | 36 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 944 | 89 | None | -28 | 36 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 944 | 89 | None | -28 | 36 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 944 | 89 | None | -28 | 36 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 6603753 | 108215 | 1 | None | 316 | 2 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | nan | ||
| CHEMBL320820 | 108215 | 1 | None | 316 | 2 | Rat | 7.0 | pPotency | = | 7 | Functional | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | nan | ||
| 659101 | 166061 | 13 | None | 1 | 4 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 282 | 0 | 1 | 3 | 3.0 | O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc21 | nan | ||
| CHEMBL428064 | 166061 | 13 | None | 1 | 4 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 282 | 0 | 1 | 3 | 3.0 | O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc21 | nan | ||
| 3006797 | 11952 | 2 | None | -4 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 428 | 21 | 1 | 3 | 6.3 | CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C | nan | ||
| CHEMBL1183559 | 11952 | 2 | None | -4 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 428 | 21 | 1 | 3 | 6.3 | CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C | nan | ||
| 184820 | 21985 | 31 | None | 7 | 3 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 | nan | ||
| CHEMBL1256654 | 21985 | 31 | None | 7 | 3 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 | nan | ||
| CHEMBL1322675 | 21985 | 31 | None | 7 | 3 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 | nan | ||
| 3172 | 23456 | 27 | None | 3 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 275 | 5 | 0 | 1 | 3.5 | CCN(CCCl)Cc1ccccc1Br | nan | ||
| CHEMBL1334976 | 23456 | 27 | None | 3 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 275 | 5 | 0 | 1 | 3.5 | CCN(CCCl)Cc1ccccc1Br | nan | ||
| 1354 | 28614 | 36 | None | -7 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 211 | 1 | 5 | 2 | 1.2 | N=C(N)NC(=N)Nc1cccc(Cl)c1 | nan | ||
| CHEMBL13790 | 28614 | 36 | None | -7 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 211 | 1 | 5 | 2 | 1.2 | N=C(N)NC(=N)Nc1cccc(Cl)c1 | nan | ||
| 6603748 | 50211 | 4 | None | 1 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 243 | 2 | 1 | 5 | 2.4 | N#CSc1ccc2oc(C3=NCCN3)cc2c1 | nan | ||
| CHEMBL157351 | 50211 | 4 | None | 1 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 243 | 2 | 1 | 5 | 2.4 | N#CSc1ccc2oc(C3=NCCN3)cc2c1 | nan | ||
| 1427 | 1982 | 50 | None | -776 | 10 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| 357 | 1982 | 50 | None | -776 | 10 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| 3696 | 1982 | 50 | None | -776 | 10 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL11 | 1982 | 50 | None | -776 | 10 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00458 | 1982 | 50 | None | -776 | 10 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| 1530 | 2151 | 44 | None | -30 | 21 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2151 | 44 | None | -30 | 21 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2151 | 44 | None | -30 | 21 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2151 | 44 | None | -30 | 21 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2151 | 44 | None | -30 | 21 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 736041 | 25781 | 3 | None | - | 1 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1354398 | 25781 | 3 | None | - | 1 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1 | nan | ||
| 6603694 | 48052 | 2 | None | 3 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 294 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O | nan | ||
| CHEMBL1553899 | 48052 | 2 | None | 3 | 2 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 294 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O | nan | ||
| 5568 | 195823 | 26 | None | 31 | 3 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | nan | ||
| 66069 | 195823 | 26 | None | 31 | 3 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | nan | ||
| CHEMBL1201102 | 195823 | 26 | None | 31 | 3 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | nan | ||
| CHEMBL570 | 195823 | 26 | None | 31 | 3 | Rat | 6.0 | pPotency | = | 6 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | nan | ||
| 1472225 | 24540 | 10 | None | -25 | 7 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 3.9 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 | nan | ||
| CHEMBL1344225 | 24540 | 10 | None | -25 | 7 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 3.9 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 | nan | ||
| 214 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 2740 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 5566 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 66064 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL422 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00831 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 2431 | 14109 | 21 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 242 | 3 | 0 | 0 | 3.0 | CC[N+](C)(C)Cc1ccccc1Br | nan | ||
| CHEMBL1095292 | 14109 | 21 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 242 | 3 | 0 | 0 | 3.0 | CC[N+](C)(C)Cc1ccccc1Br | nan | ||
| CHEMBL1199080 | 14109 | 21 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 242 | 3 | 0 | 0 | 3.0 | CC[N+](C)(C)Cc1ccccc1Br | nan | ||
| 5353685 | 17093 | 19 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 437 | 4 | 3 | 6 | 3.2 | COc1cc(/C=C(\C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O | nan | ||
| CHEMBL1257003 | 17093 | 19 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 437 | 4 | 3 | 6 | 3.2 | COc1cc(/C=C(\C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O | nan | ||
| 6603727 | 22176 | 3 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | C[C@@H](COc1ccccc1)N(CCCl)Cc1ccccc1 | nan | ||
| CHEMBL1324405 | 22176 | 3 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | C[C@@H](COc1ccccc1)N(CCCl)Cc1ccccc1 | nan | ||
| 6603751 | 22364 | 2 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 406 | 6 | 1 | 3 | 4.7 | O[C@H](CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1326126 | 22364 | 2 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 406 | 6 | 1 | 3 | 4.7 | O[C@H](CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 6603790 | 30554 | 2 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 349 | 4 | 3 | 5 | 0.3 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@@H]2SC1 | nan | ||
| CHEMBL1395893 | 30554 | 2 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 349 | 4 | 3 | 5 | 0.3 | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@@H]2SC1 | nan | ||
| 6603928 | 30602 | 1 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 196 | 4 | 3 | 2 | 0.7 | CC(C)(CCP(=O)(O)O)C(=O)O | nan | ||
| CHEMBL1396658 | 30602 | 1 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 196 | 4 | 3 | 2 | 0.7 | CC(C)(CCP(=O)(O)O)C(=O)O | nan | ||
| 4098 | 32289 | 24 | None | -758 | 12 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32289 | 24 | None | -758 | 12 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32289 | 24 | None | -758 | 12 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| 6603807 | 48077 | 3 | None | -67 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 228 | 3 | 0 | 2 | 3.1 | CCCN1CCC[C@H](c2cccc(C#N)c2)C1 | nan | ||
| CHEMBL1554230 | 48077 | 3 | None | -67 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 228 | 3 | 0 | 2 | 3.1 | CCCN1CCC[C@H](c2cccc(C#N)c2)C1 | nan | ||
| 6603808 | 127000 | 2 | None | -13 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | nan | ||
| CHEMBL214986 | 127000 | 2 | None | -13 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | nan | ||
| CHEMBL36622 | 127000 | 2 | None | -13 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | nan | ||
| CHEMBL3740374 | 127000 | 2 | None | -13 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | nan | ||
| 2765 | 930 | 16 | None | -1000 | 7 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | nan | ||
| 515 | 930 | 16 | None | -1000 | 7 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | nan | ||
| CHEMBL13852 | 930 | 16 | None | -1000 | 7 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | nan | ||
| DB09202 | 930 | 16 | None | -1000 | 7 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | nan | ||
| 1922 | 3481 | 34 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 331 | 0 | 2 | 3 | 3.2 | CC(=O)NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 4336830 | 3481 | 34 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 331 | 0 | 2 | 3 | 3.2 | CC(=O)NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| CHEMBL112816 | 3481 | 34 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 331 | 0 | 2 | 3 | 3.2 | CC(=O)NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 2470 | 3596 | 46 | None | -100000 | 11 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 3300 | 3596 | 46 | None | -100000 | 11 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 5265 | 3596 | 46 | None | -100000 | 11 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 99 | 3596 | 46 | None | -100000 | 11 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| CHEMBL267930 | 3596 | 46 | None | -100000 | 11 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 1935 | 3677 | 92 | None | -120 | 8 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 2551 | 3677 | 92 | None | -120 | 8 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 6687 | 3677 | 92 | None | -120 | 8 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| CHEMBL95 | 3677 | 92 | None | -120 | 8 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| DB00382 | 3677 | 92 | None | -120 | 8 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 214 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 2740 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 5566 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 66064 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL422 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00831 | 3799 | 52 | None | -630 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 1652 | 3839 | 14 | None | -17378 | 8 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 3036289 | 3839 | 14 | None | -17378 | 8 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| CHEMBL441765 | 3839 | 14 | None | -17378 | 8 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 404 | 4035 | 30 | None | -1318 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | nan | ||
| 432 | 4035 | 30 | None | -1318 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | nan | ||
| 5697 | 4035 | 30 | None | -1318 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | nan | ||
| CHEMBL273094 | 4035 | 30 | None | -1318 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | nan | ||
| 3658 | 4044 | 47 | None | -58 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| 517 | 4044 | 47 | None | -58 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| 5709 | 4044 | 47 | None | -58 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| CHEMBL312448 | 4044 | 47 | None | -58 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| DB06694 | 4044 | 47 | None | -58 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| 2227 | 4532 | 16 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 172 | 5 | 6 | 2 | -1.3 | N=C(N)NCCCCNC(=N)N | nan | ||
| CHEMBL102740 | 4532 | 16 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 172 | 5 | 6 | 2 | -1.3 | N=C(N)NCCCCNC(=N)N | nan | ||
| 5800609 | 5064 | 22 | None | -7 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2/C(=O)Nc3ccccc32)[nH]1 | nan | ||
| CHEMBL105739 | 5064 | 22 | None | -7 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2/C(=O)Nc3ccccc32)[nH]1 | nan | ||
| 136677323 | 10116 | 5 | None | -125 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)O)cc4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | nan | ||
| 3638737 | 10116 | 5 | None | -125 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)O)cc4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | nan | ||
| CHEMBL1160025 | 10116 | 5 | None | -125 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)O)cc4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | nan | ||
| CHEMBL1365553 | 10116 | 5 | None | -125 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)O)cc4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | nan | ||
| 6603976 | 21461 | 11 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 220 | 5 | 2 | 2 | 2.3 | CCCN[C@@H](C)C(=O)Nc1ccccc1C | nan | ||
| CHEMBL1318078 | 21461 | 11 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 220 | 5 | 2 | 2 | 2.3 | CCCN[C@@H](C)C(=O)Nc1ccccc1C | nan | ||
| 54705183 | 27757 | 1 | None | -79 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 444 | 2 | 6 | 9 | -0.3 | C[C@@H]1c2cccc(O)c2C(=O)C2=C(O)[C@@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21 | nan | ||
| CHEMBL1372176 | 27757 | 1 | None | -79 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 444 | 2 | 6 | 9 | -0.3 | C[C@@H]1c2cccc(O)c2C(=O)C2=C(O)[C@@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21 | nan | ||
| 6603788 | 28073 | 1 | None | 3 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H](O)[C@H]1O | nan | ||
| CHEMBL1374272 | 28073 | 1 | None | 3 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H](O)[C@H]1O | nan | ||
| 146570 | 43208 | 60 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL1508 | 43208 | 60 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| 2265 | 46778 | 108 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 277 | 3 | 1 | 8 | 1.1 | Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12 | nan | ||
| CHEMBL1542 | 46778 | 108 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 277 | 3 | 1 | 8 | 1.1 | Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12 | nan | ||
| 146015336 | 53067 | 107 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| 1775 | 53067 | 107 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL16 | 53067 | 107 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1611 | 53067 | 107 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| 6604037 | 53453 | 2 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](O)/C=C\c1cccc(C[C@H](O)CCCCO)n1 | nan | ||
| CHEMBL1603665 | 53453 | 2 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](O)/C=C\c1cccc(C[C@H](O)CCCCO)n1 | nan | ||
| 5745 | 56929 | 73 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 402 | 3 | 1 | 6 | 2.6 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C | nan | ||
| CHEMBL1650 | 56929 | 73 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 402 | 3 | 1 | 6 | 2.6 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C | nan | ||
| 446849 | 98904 | 37 | None | -1 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 320 | 2 | 2 | 2 | 5.2 | CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC | nan | ||
| CHEMBL282489 | 98904 | 37 | None | -1 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 320 | 2 | 2 | 2 | 5.2 | CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC | nan | ||
| 4868255 | 99442 | 95 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 139 | 3 | 3 | 2 | -0.5 | NCCCP(=O)(O)O | nan | ||
| 97587 | 99442 | 95 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 139 | 3 | 3 | 2 | -0.5 | NCCCP(=O)(O)O | nan | ||
| CHEMBL286077 | 99442 | 95 | None | - | 1 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 139 | 3 | 3 | 2 | -0.5 | NCCCP(=O)(O)O | nan | ||
| 125328 | 101812 | 24 | None | -5 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 291 | 2 | 0 | 1 | 4.6 | c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 | nan | ||
| CHEMBL1256916 | 101812 | 24 | None | -5 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 291 | 2 | 0 | 1 | 4.6 | c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 | nan | ||
| CHEMBL303336 | 101812 | 24 | None | -5 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 291 | 2 | 0 | 1 | 4.6 | c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 | nan | ||
| 667440 | 137344 | 2 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CC[C@@H](c1ccccc1)c1ccccn1 | nan | ||
| CHEMBL376103 | 137344 | 2 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CC[C@@H](c1ccccc1)c1ccccn1 | nan | ||
| 6603884 | 165352 | 2 | None | -9 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 337 | 3 | 1 | 3 | 4.1 | Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1 | nan | ||
| CHEMBL42501 | 165352 | 2 | None | -9 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 337 | 3 | 1 | 3 | 4.1 | Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1 | nan | ||
| 262093 | 166607 | 67 | None | -1 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 310 | 6 | 2 | 6 | 1.7 | O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21 | nan | ||
| CHEMBL429095 | 166607 | 67 | None | -1 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 310 | 6 | 2 | 6 | 1.7 | O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21 | nan | ||
| 2179 | 166958 | 71 | None | 1 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | nan | ||
| CHEMBL1256655 | 166958 | 71 | None | 1 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | nan | ||
| CHEMBL43 | 166958 | 71 | None | 1 | 3 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | nan | ||
| 4735 | 193445 | 92 | None | -75 | 10 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 193445 | 92 | None | -75 | 10 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 193445 | 92 | None | -75 | 10 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| 6603950 | 201633 | 9 | None | -3467 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL64875 | 201633 | 9 | None | -3467 | 4 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 202478 | 202981 | 15 | None | -10 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | nan | ||
| CHEMBL7393 | 202981 | 15 | None | -10 | 2 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | nan | ||
| 5467 | 204212 | 40 | None | -1 | 5 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | nan | ||
| CHEMBL84158 | 204212 | 40 | None | -1 | 5 | Rat | 5.0 | pPotency | = | 5 | Functional | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | nan | ||
| 4127 | 2328 | 113 | None | 1348 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| 5951 | 2328 | 113 | None | 1348 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| 6857581 | 2328 | 113 | None | 1348 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| 726 | 2328 | 113 | None | 1348 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| CHEMBL11298 | 2328 | 113 | None | 1348 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| DB00133 | 2328 | 113 | None | 1348 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| 2293 | 3137 | 23 | None | 2344 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| 329 | 3137 | 23 | None | 2344 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| 4934 | 3137 | 23 | None | 2344 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| CHEMBL1180725 | 3137 | 23 | None | 2344 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| DB00782 | 3137 | 23 | None | 2344 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | nan | ||
| 2141 | 4208 | 79 | None | 173 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 214 | 7 | 4 | 4 | -0.2 | NCCCNCCSP(=O)(O)O | nan | ||
| 29927142 | 4208 | 79 | None | 173 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 214 | 7 | 4 | 4 | -0.2 | NCCCNCCSP(=O)(O)O | nan | ||
| CHEMBL1006 | 4208 | 79 | None | 173 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 214 | 7 | 4 | 4 | -0.2 | NCCCNCCSP(=O)(O)O | nan | ||
| 5429 | 9289 | 99 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1cnc2c1c(=O)[nH]c(=O)n2C | nan | ||
| CHEMBL1114 | 9289 | 99 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1cnc2c1c(=O)[nH]c(=O)n2C | nan | ||
| 6603892 | 23866 | 1 | None | 891 | 3 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 327 | 4 | 0 | 2 | 5.7 | CCCn1c(C)c(C(=O)c2ccc3ccccc3c2)c2ccccc21 | nan | ||
| CHEMBL1338358 | 23866 | 1 | None | 891 | 3 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 327 | 4 | 0 | 2 | 5.7 | CCCn1c(C)c(C(=O)c2ccc3ccccc3c2)c2ccccc21 | nan | ||
| 637577 | 28626 | 11 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1379091 | 28626 | 11 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| 1550101 | 34839 | 3 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1433395 | 34839 | 3 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1515314 | 34839 | 3 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| 6603947 | 34947 | 1 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 357 | 2 | 3 | 5 | 1.7 | Oc1ccc2c3c1O[C@@H]1[C@@H](O)CC[C@]4(O)[C@H](C2)N(CC2CCC2)CC[C@@]314 | nan | ||
| CHEMBL1434950 | 34947 | 1 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 357 | 2 | 3 | 5 | 1.7 | Oc1ccc2c3c1O[C@@H]1[C@@H](O)CC[C@]4(O)[C@H](C2)N(CC2CCC2)CC[C@@]314 | nan | ||
| 2921148 | 184038 | 68 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 1.2 | Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C | nan | ||
| CHEMBL484928 | 184038 | 68 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 1.2 | Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C | nan | ||
| 1779 | 187867 | 62 | None | 15 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 257 | 1 | 2 | 3 | 2.9 | O=C(O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 | nan | ||
| CHEMBL50267 | 187867 | 62 | None | 15 | 2 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 257 | 1 | 2 | 3 | 2.9 | O=C(O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 | nan | ||
| 5503 | 203910 | 64 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 311 | 3 | 2 | 4 | 1.8 | Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1 | nan | ||
| CHEMBL817 | 203910 | 64 | None | - | 1 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 311 | 3 | 2 | 4 | 1.8 | Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1 | nan | ||
| 1734 | 116 | 8 | None | -23 | 6 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | nan | ||
| 307 | 116 | 8 | None | -23 | 6 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | nan | ||
| CHEMBL168067 | 116 | 8 | None | -23 | 6 | Rat | 8.0 | pPotency | = | 8.0 | Functional | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | nan | ||
| 3707 | 17777 | 78 | None | 100 | 2 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 277 | 2 | 3 | 3 | 4.4 | O=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2ccccc12 | nan | ||
| CHEMBL126077 | 17777 | 78 | None | 100 | 2 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 277 | 2 | 3 | 3 | 4.4 | O=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2ccccc12 | nan | ||
| 131307 | 26552 | 8 | None | - | 1 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 357 | 6 | 0 | 3 | 4.1 | O=C(OC1CCN(CCCl)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1362548 | 26552 | 8 | None | - | 1 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 357 | 6 | 0 | 3 | 4.1 | O=C(OC1CCN(CCCl)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 24937910 | 32472 | 5 | None | 112 | 2 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 222 | 7 | 3 | 4 | 0.6 | CCCC[S@](=N)(=O)CC[C@@H](N)C(=O)O | nan | ||
| 42580107 | 32472 | 5 | None | 112 | 2 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 222 | 7 | 3 | 4 | 0.6 | CCCC[S@](=N)(=O)CC[C@@H](N)C(=O)O | nan | ||
| CHEMBL1413401 | 32472 | 5 | None | 112 | 2 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 222 | 7 | 3 | 4 | 0.6 | CCCC[S@](=N)(=O)CC[C@@H](N)C(=O)O | nan | ||
| 1756 | 116071 | 25 | None | 30 | 3 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 187 | 1 | 0 | 4 | 0.8 | N#Cc1c(-c2ccccc2)no[n+]1[O-] | nan | ||
| CHEMBL336467 | 116071 | 25 | None | 30 | 3 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 187 | 1 | 0 | 4 | 0.8 | N#Cc1c(-c2ccccc2)no[n+]1[O-] | nan | ||
| 2562 | 202893 | 47 | None | 1 | 2 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | nan | ||
| CHEMBL1256696 | 202893 | 47 | None | 1 | 2 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | nan | ||
| CHEMBL73234 | 202893 | 47 | None | 1 | 2 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | nan | ||
| 3042 | 1386 | 31 | None | -26 | 14 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1386 | 31 | None | -26 | 14 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1386 | 31 | None | -26 | 14 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1386 | 31 | None | -26 | 14 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1386 | 31 | None | -26 | 14 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 2895 | 201898 | 35 | None | -8 | 3 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | nan | ||
| CHEMBL669 | 201898 | 35 | None | -8 | 3 | Rat | 7.0 | pPotency | = | 7.0 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | nan | ||
| 2284 | 3133 | 27 | None | -194 | 25 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3133 | 27 | None | -194 | 25 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3133 | 27 | None | -194 | 25 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3133 | 27 | None | -194 | 25 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3133 | 27 | None | -194 | 25 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 9444 | 41000 | 106 | None | - | 1 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 244 | 2 | 4 | 9 | -3.2 | Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 | nan | ||
| CHEMBL1489 | 41000 | 106 | None | - | 1 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 244 | 2 | 4 | 9 | -3.2 | Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 | nan | ||
| 6603696 | 94135 | 12 | None | - | 1 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 255 | 4 | 1 | 3 | 2.6 | C[C@H](N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 | nan | ||
| CHEMBL251941 | 94135 | 12 | None | - | 1 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 255 | 4 | 1 | 3 | 2.6 | C[C@H](N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 | nan | ||
| 6321250 | 40185 | 2 | None | - | 1 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@@]3(O)[C@H]1C5 | nan | ||
| CHEMBL1482236 | 40185 | 2 | None | - | 1 | Rat | 6.0 | pPotency | = | 6.0 | Functional | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@@]3(O)[C@H]1C5 | nan | ||
| 3237441 | 24806 | 5 | None | -14 | 5 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 449 | 5 | 1 | 7 | 3.1 | COc1ccc(-c2cc(N)n(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1OC | nan | ||
| CHEMBL1346587 | 24806 | 5 | None | -14 | 5 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 449 | 5 | 1 | 7 | 3.1 | COc1ccc(-c2cc(N)n(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1OC | nan | ||
| 3096032 | 29664 | 7 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 229 | 0 | 1 | 4 | 2.0 | Nc1cc2nsnc2cc1Br | nan | ||
| CHEMBL1387843 | 29664 | 7 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 229 | 0 | 1 | 4 | 2.0 | Nc1cc2nsnc2cc1Br | nan | ||
| 133633 | 2210 | 46 | None | -2630 | 4 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | nan | ||
| 177 | 2210 | 46 | None | -2630 | 4 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | nan | ||
| CHEMBL445102 | 2210 | 46 | None | -2630 | 4 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | nan | ||
| 121930 | 2364 | 29 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 3.7 | Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F | nan | ||
| 18 | 2364 | 29 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 3.7 | Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F | nan | ||
| CHEMBL1256693 | 2364 | 29 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 3.7 | Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F | nan | ||
| 1227 | 2454 | 35 | None | -4265 | 10 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 2331 | 2454 | 35 | None | -4265 | 10 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 3957 | 2454 | 35 | None | -4265 | 10 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 4992 | 2454 | 35 | None | -4265 | 10 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| CHEMBL511 | 2454 | 35 | None | -4265 | 10 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| DB06691 | 2454 | 35 | None | -4265 | 10 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 209 | 3008 | 94 | None | -48977 | 4 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 2113 | 3008 | 94 | None | -48977 | 4 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4748 | 3008 | 94 | None | -48977 | 4 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL567 | 3008 | 94 | None | -48977 | 4 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00850 | 3008 | 94 | None | -48977 | 4 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 2419 | 3407 | 80 | None | -38904 | 6 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| 5152 | 3407 | 80 | None | -38904 | 6 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| 559 | 3407 | 80 | None | -38904 | 6 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| CHEMBL1263 | 3407 | 80 | None | -38904 | 6 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| DB00938 | 3407 | 80 | None | -38904 | 6 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| 2600 | 3720 | 73 | None | -407 | 16 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 2608 | 3720 | 73 | None | -407 | 16 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 5405 | 3720 | 73 | None | -407 | 16 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| CHEMBL17157 | 3720 | 73 | None | -407 | 16 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| DB00342 | 3720 | 73 | None | -407 | 16 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 6603840 | 34991 | 1 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 522 | 25 | 1 | 6 | 5.2 | CCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC | nan | ||
| CHEMBL1435381 | 34991 | 1 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 522 | 25 | 1 | 6 | 5.2 | CCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC | nan | ||
| 6093336 | 35748 | 17 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@H](Oc1ccccc1C)c1ccccc1 | nan | ||
| CHEMBL1442868 | 35748 | 17 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@H](Oc1ccccc1C)c1ccccc1 | nan | ||
| 6603848 | 43802 | 1 | None | 1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 555 | 7 | 1 | 9 | 4.3 | COc1cccc2c1[C@@H]1CN(CCCCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@H]1CO2 | nan | ||
| CHEMBL1514375 | 43802 | 1 | None | 1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 555 | 7 | 1 | 9 | 4.3 | COc1cccc2c1[C@@H]1CN(CCCCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@H]1CO2 | nan | ||
| 90661404 | 76413 | 1 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 464 | 9 | 1 | 4 | 5.0 | COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NCCCCCCN1C(=O)C=CC1=O | nan | ||
| CHEMBL2068158 | 76413 | 1 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 464 | 9 | 1 | 4 | 5.0 | COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NCCCCCCN1C(=O)C=CC1=O | nan | ||
| 104973 | 110868 | 12 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 334 | 5 | 2 | 4 | 3.0 | CN(CCCl)Cc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | nan | ||
| CHEMBL326967 | 110868 | 12 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 334 | 5 | 2 | 4 | 3.0 | CN(CCCl)Cc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | nan | ||
| 667440 | 137344 | 2 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CC[C@@H](c1ccccc1)c1ccccn1 | nan | ||
| CHEMBL376103 | 137344 | 2 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 240 | 5 | 0 | 2 | 3.2 | CN(C)CC[C@@H](c1ccccc1)c1ccccn1 | nan | ||
| 6603724 | 154792 | 3 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | nan | ||
| CHEMBL40317 | 154792 | 3 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | nan | ||
| 6604000 | 196589 | 10 | None | 1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 496 | 10 | 1 | 6 | 3.8 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1 | nan | ||
| CHEMBL575768 | 196589 | 10 | None | 1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 496 | 10 | 1 | 6 | 3.8 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1 | nan | ||
| 3626837 | 205584 | 8 | None | -194984 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 373 | 6 | 1 | 4 | 2.9 | COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1 | nan | ||
| CHEMBL93403 | 205584 | 8 | None | -194984 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 373 | 6 | 1 | 4 | 2.9 | COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1 | nan | ||
| 153 | 1431 | 5 | None | 1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | nan | ||
| 6603801 | 1431 | 5 | None | 1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | nan | ||
| CHEMBL1434583 | 1431 | 5 | None | 1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | nan | ||
| 1222 | 1634 | 44 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 3396 | 1634 | 44 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 85 | 1634 | 44 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| CHEMBL46516 | 1634 | 44 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| DB04842 | 1634 | 44 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 667429 | 25880 | 92 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 199 | 3 | 2 | 2 | 1.3 | N[C@H](Cc1ccc(Cl)cc1)C(=O)O | nan | ||
| 6918890 | 25880 | 92 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 199 | 3 | 2 | 2 | 1.3 | N[C@H](Cc1ccc(Cl)cc1)C(=O)O | nan | ||
| CHEMBL1355710 | 25880 | 92 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 199 | 3 | 2 | 2 | 1.3 | N[C@H](Cc1ccc(Cl)cc1)C(=O)O | nan | ||
| 6603938 | 32020 | 3 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 271 | 7 | 1 | 3 | 3.4 | CNCC[C@H](Oc1ccccc1OC)c1ccccc1 | nan | ||
| CHEMBL1409777 | 32020 | 3 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 271 | 7 | 1 | 3 | 3.4 | CNCC[C@H](Oc1ccccc1OC)c1ccccc1 | nan | ||
| 6603807 | 48077 | 3 | None | -67 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 228 | 3 | 0 | 2 | 3.1 | CCCN1CCC[C@H](c2cccc(C#N)c2)C1 | nan | ||
| CHEMBL1554230 | 48077 | 3 | None | -67 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 228 | 3 | 0 | 2 | 3.1 | CCCN1CCC[C@H](c2cccc(C#N)c2)C1 | nan | ||
| 6603862 | 48227 | 1 | None | -14 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 293 | 6 | 4 | 5 | 0.3 | N=C(N)NCCNOS(=O)c1cccc2cnccc12 | nan | ||
| CHEMBL1556172 | 48227 | 1 | None | -14 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 293 | 6 | 4 | 5 | 0.3 | N=C(N)NCCNOS(=O)c1cccc2cnccc12 | nan | ||
| 4549642 | 53965 | 2 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 273 | 4 | 1 | 3 | 2.8 | CCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | nan | ||
| CHEMBL1257076 | 53965 | 2 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 273 | 4 | 1 | 3 | 2.8 | CCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | nan | ||
| CHEMBL1607704 | 53965 | 2 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 273 | 4 | 1 | 3 | 2.8 | CCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | nan | ||
| 6604084 | 54811 | 3 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 471 | 9 | 2 | 12 | -0.7 | CO[C@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21 | nan | ||
| CHEMBL1370376 | 54811 | 3 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 471 | 9 | 2 | 12 | -0.7 | CO[C@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21 | nan | ||
| CHEMBL1616820 | 54811 | 3 | None | 2 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 471 | 9 | 2 | 12 | -0.7 | CO[C@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21 | nan | ||
| 6852255 | 55482 | 8 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 270 | 6 | 0 | 3 | 2.9 | CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1 | nan | ||
| CHEMBL1494294 | 55482 | 8 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 270 | 6 | 0 | 3 | 2.9 | CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1 | nan | ||
| CHEMBL1622549 | 55482 | 8 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 270 | 6 | 0 | 3 | 2.9 | CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1 | nan | ||
| 4910 | 98916 | 26 | None | 1 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 353 | 10 | 0 | 3 | 4.7 | CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL282567 | 98916 | 26 | None | 1 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 353 | 10 | 0 | 3 | 4.7 | CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL347036 | 98916 | 26 | None | 1 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 353 | 10 | 0 | 3 | 4.7 | CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 | nan | ||
| 6603729 | 99494 | 2 | None | -7 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 373 | 3 | 2 | 3 | 4.0 | C=CCN1CCc2c(cc(O)c(O)c2Br)[C@H](c2ccccc2)C1 | nan | ||
| CHEMBL286424 | 99494 | 2 | None | -7 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 373 | 3 | 2 | 3 | 4.0 | C=CCN1CCc2c(cc(O)c(O)c2Br)[C@H](c2ccccc2)C1 | nan | ||
| 4369380 | 101137 | 8 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 253 | 6 | 3 | 3 | 1.0 | O=C(O)CNC(=O)[C@@H](CS)Cc1ccccc1 | nan | ||
| CHEMBL298827 | 101137 | 8 | None | - | 1 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 253 | 6 | 3 | 3 | 1.0 | O=C(O)CNC(=O)[C@@H](CS)Cc1ccccc1 | nan | ||
| 6603857 | 102163 | 29 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 395 | 5 | 1 | 7 | 4.2 | CN(C)c1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1 | nan | ||
| CHEMBL30432 | 102163 | 29 | None | -1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 395 | 5 | 1 | 7 | 4.2 | CN(C)c1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1 | nan | ||
| 175540 | 118750 | 45 | None | -173 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | nan | ||
| CHEMBL343633 | 118750 | 45 | None | -173 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | nan | ||
| 6603726 | 172005 | 2 | None | 1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 361 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1CSc2ccccc2O1 | nan | ||
| CHEMBL448784 | 172005 | 2 | None | 1 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 361 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1CSc2ccccc2O1 | nan | ||
| 5328770 | 193144 | 47 | None | -14 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 322 | 6 | 3 | 4 | 2.8 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1 | nan | ||
| CHEMBL53898 | 193144 | 47 | None | -14 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 322 | 6 | 3 | 4 | 2.8 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1 | nan | ||
| 1774 | 203656 | 90 | None | -5 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 113 | 0 | 0 | 1 | 1.1 | CC1(C)CCC=[N+]1[O-] | nan | ||
| CHEMBL79824 | 203656 | 90 | None | -5 | 2 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 113 | 0 | 0 | 1 | 1.1 | CC1(C)CCC=[N+]1[O-] | nan | ||
| 3626837 | 205584 | 8 | None | -194984 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 373 | 6 | 1 | 4 | 2.9 | COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1 | nan | ||
| CHEMBL93403 | 205584 | 8 | None | -194984 | 3 | Rat | 5.0 | pPotency | = | 5.0 | Functional | ChEMBL | 373 | 6 | 1 | 4 | 2.9 | COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1 | nan | ||
| 1343 | 1858 | 55 | None | 2 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 3519 | 1858 | 55 | None | 2 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 522 | 1858 | 55 | None | 2 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| CHEMBL862 | 1858 | 55 | None | 2 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| DB01018 | 1858 | 55 | None | 2 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | nan | ||
| 316 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| 317 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| 71183 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| CHEMBL3140030 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| CHEMBL376897 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| DB00462 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| 2724160 | 17071 | 42 | None | 10 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 166 | 2 | 1 | 1 | 2.4 | C=C(C)[C@@H]1CC=C(C(=O)O)CC1 | nan | ||
| CHEMBL1256620 | 17071 | 42 | None | 10 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 166 | 2 | 1 | 1 | 2.4 | C=C(C)[C@@H]1CC=C(C(=O)O)CC1 | nan | ||
| 638340 | 22192 | 2 | None | 4466 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 | nan | ||
| CHEMBL1324521 | 22192 | 2 | None | 4466 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 | nan | ||
| 1550101 | 34839 | 3 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1433395 | 34839 | 3 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1515314 | 34839 | 3 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| 6603951 | 39295 | 46 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 158 | 2 | 2 | 3 | -1.9 | NC(=O)CN1C[C@@H](O)CC1=O | nan | ||
| CHEMBL1472936 | 39295 | 46 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 158 | 2 | 2 | 3 | -1.9 | NC(=O)CN1C[C@@H](O)CC1=O | nan | ||
| 2061 | 104289 | 49 | None | 10 | 3 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 202 | 1 | 3 | 5 | 1.2 | N#CC(C#N)=Cc1cc(O)c(O)c(O)c1 | nan | ||
| CHEMBL310798 | 104289 | 49 | None | 10 | 3 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 202 | 1 | 3 | 5 | 1.2 | N#CC(C#N)=Cc1cc(O)c(O)c(O)c1 | nan | ||
| 54679302 | 114630 | 9 | None | 3162 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 363 | 3 | 2 | 4 | 5.8 | Oc1nc2cc(Cl)ccc2c(O)c1-c1ccc(Oc2ccccc2)cc1 | nan | ||
| CHEMBL334378 | 114630 | 9 | None | 3162 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 363 | 3 | 2 | 4 | 5.8 | Oc1nc2cc(Cl)ccc2c(O)c1-c1ccc(Oc2ccccc2)cc1 | nan | ||
| 6603763 | 32675 | 2 | None | 2238 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 | nan | ||
| CHEMBL1415133 | 32675 | 2 | None | 2238 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 | nan | ||
| 180 | 397 | 50 | None | -354 | 26 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -354 | 26 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -354 | 26 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -354 | 26 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -354 | 26 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 81825 | 21233 | 3 | None | 50 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 209 | 3 | 2 | 4 | 0.8 | COC(=O)[C@](C)(N)Cc1ccc(O)cc1 | nan | ||
| CHEMBL1315171 | 21233 | 3 | None | 50 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 209 | 3 | 2 | 4 | 0.8 | COC(=O)[C@](C)(N)Cc1ccc(O)cc1 | nan | ||
| 6603733 | 21299 | 3 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | C[C@H](N)Cc1c[nH]c2ccc(OCc3cccs3)cc12 | nan | ||
| CHEMBL1315945 | 21299 | 3 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 286 | 5 | 2 | 3 | 3.7 | C[C@H](N)Cc1c[nH]c2ccc(OCc3cccs3)cc12 | nan | ||
| 196664 | 30611 | 2 | None | 199 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 264 | 9 | 2 | 4 | 3.1 | CC(C)C[C@H](N)CSSC[C@@H](N)CC(C)C | nan | ||
| CHEMBL1396743 | 30611 | 2 | None | 199 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 264 | 9 | 2 | 4 | 3.1 | CC(C)C[C@H](N)CSSC[C@@H](N)CC(C)C | nan | ||
| 31411 | 31332 | 11 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | nan | ||
| CHEMBL1403892 | 31332 | 11 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | nan | ||
| 6603901 | 45494 | 76 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 402 | 12 | 2 | 6 | 3.9 | CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O | nan | ||
| CHEMBL153057 | 45494 | 76 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 402 | 12 | 2 | 6 | 3.9 | CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O | nan | ||
| 6568857 | 45558 | 2 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 419 | 6 | 3 | 11 | 0.6 | O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 | nan | ||
| CHEMBL1531093 | 45558 | 2 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 419 | 6 | 3 | 11 | 0.6 | O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1 | nan | ||
| 452009 | 45584 | 9 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 133 | 1 | 4 | 4 | -2.3 | OC[C@@H]1NC[C@@H](O)[C@H]1O | nan | ||
| CHEMBL1531321 | 45584 | 9 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 133 | 1 | 4 | 4 | -2.3 | OC[C@@H]1NC[C@@H](O)[C@H]1O | nan | ||
| 6603924 | 47837 | 1 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 310 | 8 | 0 | 1 | 5.1 | CC[N+](CC)(CC)COc1ccc(/C=C\c2ccccc2)cc1 | nan | ||
| CHEMBL1550937 | 47837 | 1 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 310 | 8 | 0 | 1 | 5.1 | CC[N+](CC)(CC)COc1ccc(/C=C\c2ccccc2)cc1 | nan | ||
| 6603962 | 53422 | 24 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 244 | 2 | 4 | 4 | 2.7 | Oc1cc(O)cc(/C=C\c2ccc(O)c(O)c2)c1 | nan | ||
| CHEMBL1603409 | 53422 | 24 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 244 | 2 | 4 | 4 | 2.7 | Oc1cc(O)cc(/C=C\c2ccc(O)c(O)c2)c1 | nan | ||
| 3932023 | 55478 | 2 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 606 | 9 | 5 | 13 | 2.5 | Cc1nc(/N=N\c2cc(S(=O)(=O)O)c3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3c2)c(COP(=O)(O)O)c(C=O)c1O | nan | ||
| CHEMBL1490919 | 55478 | 2 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 606 | 9 | 5 | 13 | 2.5 | Cc1nc(/N=N\c2cc(S(=O)(=O)O)c3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3c2)c(COP(=O)(O)O)c(C=O)c1O | nan | ||
| CHEMBL1622540 | 55478 | 2 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 606 | 9 | 5 | 13 | 2.5 | Cc1nc(/N=N\c2cc(S(=O)(=O)O)c3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3c2)c(COP(=O)(O)O)c(C=O)c1O | nan | ||
| 114924 | 66844 | 50 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 288 | 15 | 1 | 2 | 5.5 | CCCCCCCCCCCCCCSCC(=O)O | nan | ||
| CHEMBL187734 | 66844 | 50 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 288 | 15 | 1 | 2 | 5.5 | CCCCCCCCCCCCCCSCC(=O)O | nan | ||
| 5282230 | 161372 | 84 | None | 100 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 327 | 6 | 2 | 4 | 3.1 | COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC | nan | ||
| CHEMBL415324 | 161372 | 84 | None | 100 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 327 | 6 | 2 | 4 | 3.1 | COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC | nan | ||
| 2200 | 3082 | 38 | None | -6 | 10 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| 328 | 3082 | 38 | None | -6 | 10 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| 4848 | 3082 | 38 | None | -6 | 10 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| CHEMBL9967 | 3082 | 38 | None | -6 | 10 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| DB00670 | 3082 | 38 | None | -6 | 10 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | nan | ||
| 6604024 | 34998 | 2 | None | 75 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | C[C@@H](CN(C)C)CN1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1435477 | 34998 | 2 | None | 75 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | C[C@@H](CN(C)C)CN1c2ccccc2CCc2ccccc21 | nan | ||
| 1067666 | 25189 | 5 | None | -1 | 3 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 384 | 3 | 0 | 5 | 4.7 | Cc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2 | nan | ||
| CHEMBL1349721 | 25189 | 5 | None | -1 | 3 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 384 | 3 | 0 | 5 | 4.7 | Cc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2 | nan | ||
| 1210 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 905 | 45 | None | -512 | 17 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1605 | 2310 | 110 | None | -20 | 5 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 3957 | 2310 | 110 | None | -20 | 5 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 7216 | 2310 | 110 | None | -20 | 5 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| CHEMBL998 | 2310 | 110 | None | -20 | 5 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| DB00455 | 2310 | 110 | None | -20 | 5 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 5626 | 56273 | 18 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 277 | 7 | 0 | 3 | 3.3 | CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1 | nan | ||
| CHEMBL16410 | 56273 | 18 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 277 | 7 | 0 | 3 | 3.3 | CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1 | nan | ||
| 688585 | 94252 | 20 | None | 4 | 2 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 278 | 4 | 0 | 2 | 3.9 | Cc1ccc(/C(=C/CN2CCCC2)c2ccccn2)cc1 | nan | ||
| CHEMBL252745 | 94252 | 20 | None | 4 | 2 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 278 | 4 | 0 | 2 | 3.9 | Cc1ccc(/C(=C/CN2CCCC2)c2ccccn2)cc1 | nan | ||
| 43815 | 186337 | 58 | None | -30 | 7 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186337 | 58 | None | -30 | 7 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186337 | 58 | None | -30 | 7 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 307957 | 200834 | 4 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@H]1C(=O)OC[C@H]1Cc1cncn1C | nan | ||
| CHEMBL611494 | 200834 | 4 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@H]1C(=O)OC[C@H]1Cc1cncn1C | nan | ||
| 6604695 | 43756 | 1 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL1476586 | 43756 | 1 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| CHEMBL1513556 | 43756 | 1 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | ||
| 4177414 | 25163 | 11 | None | -25 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 542 | 6 | 2 | 6 | 6.5 | Cc1ccc(C2CC(C(F)F)n3ncc(C(=O)Nc4c(C)nn(Cc5c(F)cccc5Cl)c4C)c3N2)cc1 | nan | ||
| CHEMBL1349510 | 25163 | 11 | None | -25 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 542 | 6 | 2 | 6 | 6.5 | Cc1ccc(C2CC(C(F)F)n3ncc(C(=O)Nc4c(C)nn(Cc5c(F)cccc5Cl)c4C)c3N2)cc1 | nan | ||
| 987999 | 52754 | 13 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 369 | 2 | 2 | 6 | 1.7 | Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 | nan | ||
| CHEMBL1597146 | 52754 | 13 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 369 | 2 | 2 | 6 | 1.7 | Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 | nan | ||
| 2419 | 688 | 22 | None | -5495 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | nan | ||
| 9 | 688 | 22 | None | -5495 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | nan | ||
| CHEMBL13647 | 688 | 22 | None | -5495 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | nan | ||
| 1210 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 905 | 45 | None | -512 | 17 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 153 | 1431 | 5 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | nan | ||
| 6603801 | 1431 | 5 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | nan | ||
| CHEMBL1434583 | 1431 | 5 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | nan | ||
| 3151 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 945 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 965 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| CHEMBL219916 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| DB01184 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 1548968 | 10437 | 18 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| CHEMBL1169388 | 10437 | 18 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| 1711971 | 21602 | 11 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C\c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL1319373 | 21602 | 11 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C\c3ccccc3)CC2)cc1 | nan | ||
| 688569 | 21798 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | nan | ||
| CHEMBL1321005 | 21798 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | nan | ||
| 6603891 | 23846 | 2 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1C[C@@H]1COc2ccccc2O1 | nan | ||
| CHEMBL1338229 | 23846 | 2 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 2.3 | CCn1ccnc1C[C@@H]1COc2ccccc2O1 | nan | ||
| 6603838 | 35023 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1C[C@@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| CHEMBL1435868 | 35023 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 480 | 7 | 1 | 6 | 4.9 | CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1C[C@@H]1NCCc2cc(OC)c(OC)cc21 | nan | ||
| 6604038 | 36414 | 1 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 610 | 6 | 0 | 8 | 5.2 | C[C@@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@H]12 | nan | ||
| CHEMBL1448859 | 36414 | 1 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 610 | 6 | 0 | 8 | 5.2 | C[C@@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@H]12 | nan | ||
| 151582 | 43891 | 5 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | nan | ||
| CHEMBL1515691 | 43891 | 5 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | nan | ||
| 688042 | 45145 | 14 | None | -112 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 282 | 1 | 0 | 3 | 2.9 | Brc1ccc([C@H]2CN3CCSC3=N2)cc1 | nan | ||
| CHEMBL1527442 | 45145 | 14 | None | -112 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 282 | 1 | 0 | 3 | 2.9 | Brc1ccc([C@H]2CN3CCSC3=N2)cc1 | nan | ||
| 3823 | 49951 | 38 | None | -26 | 13 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 49951 | 38 | None | -26 | 13 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 49951 | 38 | None | -26 | 13 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 6852255 | 55482 | 8 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 270 | 6 | 0 | 3 | 2.9 | CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1 | nan | ||
| CHEMBL1494294 | 55482 | 8 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 270 | 6 | 0 | 3 | 2.9 | CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1 | nan | ||
| CHEMBL1622549 | 55482 | 8 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 270 | 6 | 0 | 3 | 2.9 | CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1 | nan | ||
| 6101895 | 94196 | 8 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 | nan | ||
| CHEMBL252310 | 94196 | 8 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 | nan | ||
| 3046034 | 98737 | 5 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 328 | 8 | 4 | 4 | 2.1 | C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 | nan | ||
| CHEMBL28140 | 98737 | 5 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 328 | 8 | 4 | 4 | 2.1 | C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 | nan | ||
| 446849 | 98904 | 37 | None | -1 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 320 | 2 | 2 | 2 | 5.2 | CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC | nan | ||
| CHEMBL282489 | 98904 | 37 | None | -1 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 320 | 2 | 2 | 2 | 5.2 | CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC | nan | ||
| 5353593 | 100822 | 31 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 264 | 2 | 1 | 2 | 3.2 | CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 | nan | ||
| CHEMBL296455 | 100822 | 31 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 264 | 2 | 1 | 2 | 3.2 | CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 | nan | ||
| 125328 | 101812 | 24 | None | -5 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 291 | 2 | 0 | 1 | 4.6 | c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 | nan | ||
| CHEMBL1256916 | 101812 | 24 | None | -5 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 291 | 2 | 0 | 1 | 4.6 | c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 | nan | ||
| CHEMBL303336 | 101812 | 24 | None | -5 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 291 | 2 | 0 | 1 | 4.6 | c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 | nan | ||
| 92305 | 122782 | 16 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL36148 | 122782 | 16 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| 1649 | 182175 | 102 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 241 | 1 | 1 | 3 | 2.2 | O=[N+]([O-])c1cccc2c(Br)n[nH]c12 | nan | ||
| CHEMBL479014 | 182175 | 102 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 241 | 1 | 1 | 3 | 2.2 | O=[N+]([O-])c1cccc2c(Br)n[nH]c12 | nan | ||
| 6604117 | 187264 | 6 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL2062340 | 187264 | 6 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL49623 | 187264 | 6 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | nan | ||
| 68617 | 203816 | 60 | None | -51 | 14 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 203816 | 60 | None | -51 | 14 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 203816 | 60 | None | -51 | 14 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 3117 | 206106 | 100 | None | -35 | 20 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| CHEMBL964 | 206106 | 100 | None | -35 | 20 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| 3036746 | 206209 | 10 | None | -151 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12 | nan | ||
| CHEMBL97 | 206209 | 10 | None | -151 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12 | nan | ||
| 133633 | 2210 | 46 | None | -2630 | 4 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | nan | ||
| 177 | 2210 | 46 | None | -2630 | 4 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | nan | ||
| CHEMBL445102 | 2210 | 46 | None | -2630 | 4 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 4.3 | Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2 | nan | ||
| 124 | 2933 | 44 | None | -4168 | 21 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2933 | 44 | None | -4168 | 21 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2933 | 44 | None | -4168 | 21 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2933 | 44 | None | -4168 | 21 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2933 | 44 | None | -4168 | 21 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2389 | 3279 | 114 | None | -15488 | 22 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 3279 | 114 | None | -15488 | 22 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 3279 | 114 | None | -15488 | 22 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 3279 | 114 | None | -15488 | 22 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 3279 | 114 | None | -15488 | 22 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 189 | 3436 | 31 | None | -1348 | 4 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | nan | ||
| 5163 | 3436 | 31 | None | -1348 | 4 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | nan | ||
| CHEMBL297784 | 3436 | 31 | None | -1348 | 4 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 292 | 1 | 1 | 3 | 3.2 | O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1 | nan | ||
| 1652 | 3839 | 14 | None | -17378 | 8 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 3036289 | 3839 | 14 | None | -17378 | 8 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| CHEMBL441765 | 3839 | 14 | None | -17378 | 8 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 6603828 | 8854 | 53 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 402 | 9 | 2 | 5 | 1.9 | NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F | nan | ||
| CHEMBL1097940 | 8854 | 53 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 402 | 9 | 2 | 5 | 1.9 | NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F | nan | ||
| 443372 | 10138 | 23 | None | -9549 | 8 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL1160723 | 10138 | 23 | None | -9549 | 8 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL2062275 | 10138 | 23 | None | -9549 | 8 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | nan | ||
| 3925 | 11424 | 8 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 263 | 6 | 1 | 1 | 3.1 | CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C | nan | ||
| CHEMBL1180496 | 11424 | 8 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 263 | 6 | 1 | 1 | 3.1 | CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C | nan | ||
| 2431 | 14109 | 21 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 242 | 3 | 0 | 0 | 3.0 | CC[N+](C)(C)Cc1ccccc1Br | nan | ||
| CHEMBL1095292 | 14109 | 21 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 242 | 3 | 0 | 0 | 3.0 | CC[N+](C)(C)Cc1ccccc1Br | nan | ||
| CHEMBL1199080 | 14109 | 21 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 242 | 3 | 0 | 0 | 3.0 | CC[N+](C)(C)Cc1ccccc1Br | nan | ||
| 4493 | 18333 | 95 | None | -1 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 317 | 2 | 1 | 4 | 2.4 | CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O | nan | ||
| CHEMBL1274 | 18333 | 95 | None | -1 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 317 | 2 | 1 | 4 | 2.4 | CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O | nan | ||
| 66374 | 27448 | 17 | None | 4 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 204 | 1 | 0 | 3 | 2.1 | c1ccc([C@@H]2CN3CCSC3=N2)cc1 | nan | ||
| CHEMBL1369896 | 27448 | 17 | None | 4 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 204 | 1 | 0 | 3 | 2.1 | c1ccc([C@@H]2CN3CCSC3=N2)cc1 | nan | ||
| 6603809 | 32210 | 1 | None | 7 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 586 | 4 | 8 | 12 | -1.4 | C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@@H]4[C@@H](O)C[C@]5(C)[C@H]([C@@H]6COC(=O)C6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1411296 | 32210 | 1 | None | 7 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 586 | 4 | 8 | 12 | -1.4 | C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@@H]4[C@@H](O)C[C@]5(C)[C@H]([C@@H]6COC(=O)C6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O | nan | ||
| 54686775 | 32599 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 464 | 2 | 6 | 9 | 0.3 | CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@H](O)[C@H]3C[C@@H]12 | nan | ||
| CHEMBL1414452 | 32599 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 464 | 2 | 6 | 9 | 0.3 | CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@H](O)[C@H]3C[C@@H]12 | nan | ||
| 6604039 | 36018 | 1 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| CHEMBL1445440 | 36018 | 1 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| 6603921 | 39344 | 2 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 | nan | ||
| CHEMBL1473622 | 39344 | 2 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 339 | 4 | 3 | 3 | 1.9 | CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 | nan | ||
| 222786 | 42171 | 54 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 360 | 2 | 2 | 5 | 2.0 | C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| CHEMBL1499 | 42171 | 54 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 360 | 2 | 2 | 5 | 2.0 | C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| 6603918 | 48947 | 2 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 398 | 6 | 0 | 7 | 2.9 | C#CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C | nan | ||
| CHEMBL1562657 | 48947 | 2 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 398 | 6 | 0 | 7 | 2.9 | C#CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C | nan | ||
| 4260 | 52278 | 28 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | nan | ||
| CHEMBL159226 | 52278 | 28 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | nan | ||
| 6603723 | 53973 | 19 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 263 | 5 | 1 | 2 | 3.6 | c1ccc(CN(Cc2ncc[nH]2)c2ccccc2)cc1 | nan | ||
| CHEMBL1607809 | 53973 | 19 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 263 | 5 | 1 | 2 | 3.6 | c1ccc(CN(Cc2ncc[nH]2)c2ccccc2)cc1 | nan | ||
| 682802 | 55034 | 15 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 267 | 2 | 0 | 4 | 3.1 | C/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1 | nan | ||
| CHEMBL161867 | 55034 | 15 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 267 | 2 | 0 | 4 | 3.1 | C/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1 | nan | ||
| 53708 | 93783 | 57 | None | -3 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 248 | 3 | 2 | 3 | 2.0 | CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1 | nan | ||
| CHEMBL249856 | 93783 | 57 | None | -3 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 248 | 3 | 2 | 3 | 2.0 | CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1 | nan | ||
| 439771 | 100717 | 48 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 123 | 2 | 2 | 2 | -0.4 | N[C@H](CCl)C(=O)O | nan | ||
| 5287866 | 100717 | 48 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 123 | 2 | 2 | 2 | -0.4 | N[C@H](CCl)C(=O)O | nan | ||
| CHEMBL295666 | 100717 | 48 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 123 | 2 | 2 | 2 | -0.4 | N[C@H](CCl)C(=O)O | nan | ||
| 5154 | 162586 | 69 | None | 13 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 332 | 0 | 0 | 4 | 3.4 | C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 | nan | ||
| CHEMBL417799 | 162586 | 69 | None | 13 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 332 | 0 | 0 | 4 | 3.4 | C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 | nan | ||
| CHEMBL490129 | 162586 | 69 | None | 13 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 332 | 0 | 0 | 4 | 3.4 | C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 | nan | ||
| 12035 | 199027 | 111 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 163 | 3 | 3 | 3 | -0.5 | CC(=O)N[C@@H](CS)C(=O)O | nan | ||
| CHEMBL600 | 199027 | 111 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 163 | 3 | 3 | 3 | -0.5 | CC(=O)N[C@@H](CS)C(=O)O | nan | ||
| 60840 | 205453 | 23 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 303 | 3 | 2 | 1 | 4.9 | CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1 | nan | ||
| CHEMBL92484 | 205453 | 23 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 303 | 3 | 2 | 1 | 4.9 | CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1 | nan | ||
| 316 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| 317 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| 71183 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| CHEMBL3140030 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| CHEMBL376897 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| DB00462 | 2793 | 14 | None | -28 | 8 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | nan | ||
| 6603695 | 15118 | 1 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 322 | 4 | 1 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccccc1N)C2 | nan | ||
| CHEMBL1213138 | 15118 | 1 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 322 | 4 | 1 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccccc1N)C2 | nan | ||
| 6603883 | 52074 | 1 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 332 | 5 | 1 | 3 | 3.1 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C(=O)O[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1589727 | 52074 | 1 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 332 | 5 | 1 | 3 | 3.1 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C(=O)O[C@@H](CO)c1ccccc1)C2 | nan | ||
| 22880 | 100061 | 89 | None | 56 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.9 | CN[C@H](CC(=O)O)C(=O)O | nan | ||
| CHEMBL291278 | 100061 | 89 | None | 56 | 2 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.9 | CN[C@H](CC(=O)O)C(=O)O | nan | ||
| 72430 | 99539 | 15 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 382 | 9 | 2 | 4 | 2.9 | CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 | nan | ||
| CHEMBL286722 | 99539 | 15 | None | - | 1 | Rat | 7.9 | pPotency | = | 7.9 | Functional | ChEMBL | 382 | 9 | 2 | 4 | 2.9 | CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 | nan | ||
| 1225 | 1443 | 24 | None | -177 | 11 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| 3958 | 1443 | 24 | None | -177 | 11 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| 667477 | 1443 | 24 | None | -177 | 11 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| CHEMBL860 | 1443 | 24 | None | -177 | 11 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| DB01142 | 1443 | 24 | None | -177 | 11 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| 6603926 | 10191 | 5 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 205 | 5 | 4 | 4 | 0.1 | CSC(=N)NCCC[C@@H](N)C(=O)O | nan | ||
| CHEMBL1161525 | 10191 | 5 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 205 | 5 | 4 | 4 | 0.1 | CSC(=N)NCCC[C@@H](N)C(=O)O | nan | ||
| 3437 | 14438 | 25 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 253 | 3 | 1 | 3 | 3.1 | O=C(O)c1cc2cc(Cc3cccnc3)ccc2o1 | nan | ||
| CHEMBL1204948 | 14438 | 25 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 253 | 3 | 1 | 3 | 3.1 | O=C(O)c1cc2cc(Cc3cccnc3)ccc2o1 | nan | ||
| CHEMBL36028 | 14438 | 25 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 253 | 3 | 1 | 3 | 3.1 | O=C(O)c1cc2cc(Cc3cccnc3)ccc2o1 | nan | ||
| 6603812 | 23003 | 1 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 836 | 14 | 10 | 25 | -2.4 | Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1331383 | 23003 | 1 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 836 | 14 | 10 | 25 | -2.4 | Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O | nan | ||
| 6604024 | 34998 | 2 | None | 75 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | C[C@@H](CN(C)C)CN1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1435477 | 34998 | 2 | None | 75 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | C[C@@H](CN(C)C)CN1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1475433 | 39474 | 0 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | None | None | None | None | nan | ||||
| 6604011 | 52067 | 0 | None | -2 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 | nan | ||
| CHEMBL1589683 | 52067 | 0 | None | -2 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 | nan | ||
| 6604082 | 55683 | 3 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 554 | 8 | 4 | 15 | -1.2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@@H]12)c1csc(N)n1 | nan | ||
| CHEMBL1559781 | 55683 | 3 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 554 | 8 | 4 | 15 | -1.2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@@H]12)c1csc(N)n1 | nan | ||
| CHEMBL1624218 | 55683 | 3 | None | - | 1 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 554 | 8 | 4 | 15 | -1.2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@@H]12)c1csc(N)n1 | nan | ||
| 3442 | 92859 | 72 | None | 177 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 179 | 4 | 1 | 2 | 2.1 | CCCCc1ccc(C(=O)O)nc1 | nan | ||
| CHEMBL24510 | 92859 | 72 | None | 177 | 2 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 179 | 4 | 1 | 2 | 2.1 | CCCCc1ccc(C(=O)O)nc1 | nan | ||
| 5154 | 162586 | 69 | None | 13 | 3 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 332 | 0 | 0 | 4 | 3.4 | C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 | nan | ||
| CHEMBL417799 | 162586 | 69 | None | 13 | 3 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 332 | 0 | 0 | 4 | 3.4 | C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 | nan | ||
| CHEMBL490129 | 162586 | 69 | None | 13 | 3 | Rat | 6.9 | pPotency | = | 6.9 | Functional | ChEMBL | 332 | 0 | 0 | 4 | 3.4 | C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 | nan | ||
| 146015336 | 53067 | 107 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| 1775 | 53067 | 107 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL16 | 53067 | 107 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1611 | 53067 | 107 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| 7172 | 116191 | 90 | None | -7 | 2 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | nan | ||
| CHEMBL33720 | 116191 | 90 | None | -7 | 2 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | nan | ||
| 6603708 | 39362 | 1 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 305 | 7 | 2 | 7 | -0.4 | CN(C)CCCO[C@H]1[C@H]([C@H](O)CO)O[C@H]2OC(C)(C)O[C@@H]21 | nan | ||
| CHEMBL1473813 | 39362 | 1 | None | - | 1 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 305 | 7 | 2 | 7 | -0.4 | CN(C)CCCO[C@H]1[C@H]([C@H](O)CO)O[C@H]2OC(C)(C)O[C@@H]21 | nan | ||
| 151582 | 43891 | 5 | None | -1 | 2 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | nan | ||
| CHEMBL1515691 | 43891 | 5 | None | -1 | 2 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 497 | 3 | 5 | 10 | 1.0 | CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | nan | ||
| 6603864 | 53101 | 2 | None | 1 | 2 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 349 | 6 | 1 | 2 | 4.2 | O[Si@](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1 | nan | ||
| CHEMBL1600342 | 53101 | 2 | None | 1 | 2 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 349 | 6 | 1 | 2 | 4.2 | O[Si@](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1 | nan | ||
| 24352 | 160547 | 8 | None | 16 | 3 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 340 | 6 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | nan | ||
| CHEMBL1256661 | 160547 | 8 | None | 16 | 3 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 340 | 6 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | nan | ||
| CHEMBL41169 | 160547 | 8 | None | 16 | 3 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 340 | 6 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | nan | ||
| 2801 | 161325 | 56 | None | -275 | 24 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161325 | 56 | None | -275 | 24 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161325 | 56 | None | -275 | 24 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 5614 | 203446 | 80 | None | 4 | 3 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 282 | 1 | 1 | 3 | 4.4 | CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O | nan | ||
| CHEMBL78150 | 203446 | 80 | None | 4 | 3 | Rat | 5.9 | pPotency | = | 5.9 | Functional | ChEMBL | 282 | 1 | 1 | 3 | 4.4 | CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O | nan | ||
| 665929 | 37156 | 8 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 347 | 5 | 2 | 4 | 2.6 | CCCCN1C(=O)NC(=O)/C(=C/NC2CC3CCC2(C)C3(C)C)C1=O | nan | ||
| CHEMBL1454742 | 37156 | 8 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 347 | 5 | 2 | 4 | 2.6 | CCCCN1C(=O)NC(=O)/C(=C/NC2CC3CCC2(C)C3(C)C)C1=O | nan | ||
| 3038495 | 700 | 30 | None | -30902 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | nan | ||
| 7625 | 700 | 30 | None | -30902 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | nan | ||
| CHEMBL25236 | 700 | 30 | None | -30902 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | nan | ||
| 107780 | 1814 | 50 | None | -13489 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| 14 | 1814 | 50 | None | -13489 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| CHEMBL15928 | 1814 | 50 | None | -13489 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| 283 | 3081 | 47 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | nan | ||
| 4847 | 3081 | 47 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | nan | ||
| CHEMBL18331 | 3081 | 47 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | nan | ||
| 2202 | 3083 | 91 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| 4850 | 3083 | 91 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| 49 | 3083 | 91 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| CHEMBL1371770 | 3083 | 91 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| DB12478 | 3083 | 91 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| 4209 | 3114 | 71 | None | -67608 | 10 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 4893 | 3114 | 71 | None | -67608 | 10 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 503 | 3114 | 71 | None | -67608 | 10 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 5385 | 3114 | 71 | None | -67608 | 10 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| CHEMBL2 | 3114 | 71 | None | -67608 | 10 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| DB00457 | 3114 | 71 | None | -67608 | 10 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 122187 | 3646 | 14 | None | 3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| 61 | 3646 | 14 | None | 3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| CHEMBL22778 | 3646 | 14 | None | 3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| 1267 | 3744 | 43 | None | -1513 | 5 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | nan | ||
| 3035905 | 3744 | 43 | None | -1513 | 5 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | nan | ||
| CHEMBL260374 | 3744 | 43 | None | -1513 | 5 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | nan | ||
| 44330983 | 4354 | 2 | None | -7 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 257 | 2 | 1 | 2 | 3.1 | C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | nan | ||
| CHEMBL101510 | 4354 | 2 | None | -7 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 257 | 2 | 1 | 2 | 3.1 | C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | nan | ||
| 176158 | 4529 | 113 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 370 | 2 | 1 | 3 | 4.1 | Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21 | nan | ||
| CHEMBL102714 | 4529 | 113 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 370 | 2 | 1 | 3 | 4.1 | Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21 | nan | ||
| 5800609 | 5064 | 22 | None | -7 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2/C(=O)Nc3ccccc32)[nH]1 | nan | ||
| CHEMBL105739 | 5064 | 22 | None | -7 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 238 | 1 | 2 | 1 | 3.1 | Cc1cc(C)c(/C=C2/C(=O)Nc3ccccc32)[nH]1 | nan | ||
| 6603746 | 16198 | 4 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 278 | 7 | 2 | 3 | 2.1 | CCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC | nan | ||
| CHEMBL1229585 | 16198 | 4 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 278 | 7 | 2 | 3 | 2.1 | CCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC | nan | ||
| 6603836 | 17102 | 6 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 523 | 27 | 0 | 6 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC | nan | ||
| CHEMBL1257124 | 17102 | 6 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 523 | 27 | 0 | 6 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC | nan | ||
| 6603854 | 23645 | 1 | None | -3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 344 | 9 | 5 | 6 | 1.8 | C[C@@H](Cc1ccc(C=O)cc1)NC[C@@H](O)c1ccc(O)c(NCO)c1 | nan | ||
| CHEMBL1336469 | 23645 | 1 | None | -3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 344 | 9 | 5 | 6 | 1.8 | C[C@@H](Cc1ccc(C=O)cc1)NC[C@@H](O)c1ccc(O)c(NCO)c1 | nan | ||
| 941650 | 23680 | 27 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC/C=C2\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | nan | ||
| CHEMBL1336727 | 23680 | 27 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC/C=C2\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | nan | ||
| 1316 | 24936 | 11 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 191 | 1 | 0 | 1 | 1.6 | C[N+]1(C)CCN(c2ccccc2)CC1 | nan | ||
| CHEMBL134752 | 24936 | 11 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 191 | 1 | 0 | 1 | 1.6 | C[N+]1(C)CCN(c2ccccc2)CC1 | nan | ||
| 6603871 | 25908 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 330 | 1 | 1 | 3 | 3.8 | CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C | nan | ||
| CHEMBL1356093 | 25908 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 330 | 1 | 1 | 3 | 3.8 | CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C | nan | ||
| 6604002 | 26313 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 449 | 9 | 0 | 4 | 4.8 | C=CCN1C[C@@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C | nan | ||
| CHEMBL1360454 | 26313 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 449 | 9 | 0 | 4 | 4.8 | C=CCN1C[C@@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C | nan | ||
| 6603963 | 30683 | 1 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 231 | 2 | 1 | 2 | 2.9 | CCCN1CC[C@@H]2c3cc(O)ccc3CC[C@H]21 | nan | ||
| CHEMBL1397766 | 30683 | 1 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 231 | 2 | 1 | 2 | 2.9 | CCCN1CC[C@@H]2c3cc(O)ccc3CC[C@H]21 | nan | ||
| 6603938 | 32020 | 3 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 271 | 7 | 1 | 3 | 3.4 | CNCC[C@H](Oc1ccccc1OC)c1ccccc1 | nan | ||
| CHEMBL1409777 | 32020 | 3 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 271 | 7 | 1 | 3 | 3.4 | CNCC[C@H](Oc1ccccc1OC)c1ccccc1 | nan | ||
| 6603722 | 32238 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 130 | 0 | 1 | 3 | 0.8 | C[C@@H]1CCN=C(N)S1 | nan | ||
| CHEMBL1411552 | 32238 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 130 | 0 | 1 | 3 | 0.8 | C[C@@H]1CCN=C(N)S1 | nan | ||
| 6604039 | 36018 | 1 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| CHEMBL1445440 | 36018 | 1 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | ||
| 1398859 | 40065 | 22 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 387 | 4 | 1 | 8 | 1.1 | COc1cc2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc(N)c2cc1OC | nan | ||
| CHEMBL1481149 | 40065 | 22 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 387 | 4 | 1 | 8 | 1.1 | COc1cc2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc(N)c2cc1OC | nan | ||
| 5567 | 42556 | 24 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 409 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL15023 | 42556 | 24 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 409 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 | nan | ||
| 6603896 | 43755 | 2 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 508 | 6 | 1 | 2 | 5.7 | Ic1ccccc1CN[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1513555 | 43755 | 2 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 508 | 6 | 1 | 2 | 5.7 | Ic1ccccc1CN[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 | nan | ||
| 3885 | 44231 | 88 | None | -3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 242 | 0 | 0 | 3 | 2.8 | CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O | nan | ||
| CHEMBL15192 | 44231 | 88 | None | -3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 242 | 0 | 0 | 3 | 2.8 | CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O | nan | ||
| 1628214 | 48039 | 1 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 287 | 4 | 1 | 2 | 4.0 | COc1ccc(NC(=O)/C=C\c2ccc(Cl)cc2)cc1 | nan | ||
| CHEMBL1553718 | 48039 | 1 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 287 | 4 | 1 | 2 | 4.0 | COc1ccc(NC(=O)/C=C\c2ccc(Cl)cc2)cc1 | nan | ||
| 6604170 | 55484 | 0 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 228 | 1 | 1 | 2 | 3.0 | S=C(S)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21 | nan | ||
| CHEMBL1491340 | 55484 | 0 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 228 | 1 | 1 | 2 | 3.0 | S=C(S)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21 | nan | ||
| CHEMBL1622562 | 55484 | 0 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 228 | 1 | 1 | 2 | 3.0 | S=C(S)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21 | nan | ||
| 4211 | 57517 | 81 | None | -10 | 6 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
| CHEMBL1670 | 57517 | 81 | None | -10 | 6 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 318 | 3 | 0 | 0 | 5.9 | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 | nan | ||
| 11957556 | 74137 | 21 | None | -3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 524 | 8 | 4 | 8 | 0.5 | COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1.NS(=O)(=O)O | nan | ||
| 6604955 | 74137 | 21 | None | -3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 524 | 8 | 4 | 8 | 0.5 | COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1.NS(=O)(=O)O | nan | ||
| CHEMBL2028085 | 74137 | 21 | None | -3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 524 | 8 | 4 | 8 | 0.5 | COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1.NS(=O)(=O)O | nan | ||
| 659840 | 76709 | 20 | None | -141 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 259 | 2 | 1 | 2 | 3.2 | O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1 | nan | ||
| CHEMBL1333097 | 76709 | 20 | None | -141 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 259 | 2 | 1 | 2 | 3.2 | O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1 | nan | ||
| CHEMBL20730 | 76709 | 20 | None | -141 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 259 | 2 | 1 | 2 | 3.2 | O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1 | nan | ||
| 135403792 | 79225 | 26 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 305 | 2 | 5 | 6 | 1.1 | N=C(NC(=O)c1nc(Cl)c(N)nc1N)Nc1ccccc1 | nan | ||
| CHEMBL1256775 | 79225 | 26 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 305 | 2 | 5 | 6 | 1.1 | N=C(NC(=O)c1nc(Cl)c(N)nc1N)Nc1ccccc1 | nan | ||
| CHEMBL211502 | 79225 | 26 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 305 | 2 | 5 | 6 | 1.1 | N=C(NC(=O)c1nc(Cl)c(N)nc1N)Nc1ccccc1 | nan | ||
| 5578 | 83048 | 115 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 290 | 5 | 2 | 7 | 1.3 | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | nan | ||
| CHEMBL22 | 83048 | 115 | None | -2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 290 | 5 | 2 | 7 | 1.3 | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | nan | ||
| 5680 | 93867 | 6 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 312 | 6 | 2 | 3 | 2.5 | NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| CHEMBL1526455 | 93867 | 6 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 312 | 6 | 2 | 3 | 2.5 | NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| CHEMBL250517 | 93867 | 6 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 312 | 6 | 2 | 3 | 2.5 | NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| 5639 | 98438 | 70 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | nan | ||
| CHEMBL279229 | 98438 | 70 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | nan | ||
| 6603759 | 100362 | 10 | None | -60 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 271 | 2 | 1 | 2 | 3.3 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 | nan | ||
| CHEMBL293349 | 100362 | 10 | None | -60 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 271 | 2 | 1 | 2 | 3.3 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 | nan | ||
| 92766 | 106060 | 30 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | nan | ||
| CHEMBL31410 | 106060 | 30 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | nan | ||
| 64393 | 113870 | 3 | None | -8 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 345 | 2 | 1 | 2 | 3.6 | C1CCC(/N=C(\NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1 | nan | ||
| CHEMBL333121 | 113870 | 3 | None | -8 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 345 | 2 | 1 | 2 | 3.6 | C1CCC(/N=C(\NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1 | nan | ||
| CHEMBL541543 | 113870 | 3 | None | -8 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 345 | 2 | 1 | 2 | 3.6 | C1CCC(/N=C(\NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1 | nan | ||
| 6603735 | 154787 | 2 | None | 9 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 445 | 8 | 2 | 4 | 3.6 | O=S(=O)(NCCNC/C=C\c1ccc(Br)cc1)c1cccc2cnccc12 | nan | ||
| CHEMBL403128 | 154787 | 2 | None | 9 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 445 | 8 | 2 | 4 | 3.6 | O=S(=O)(NCCNC/C=C\c1ccc(Br)cc1)c1cccc2cnccc12 | nan | ||
| 5236783 | 193075 | 6 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 301 | 5 | 0 | 3 | 3.2 | O=C(Cc1ccc(Cl)c(Cl)c1)OCCN1CCCC1 | nan | ||
| CHEMBL53649 | 193075 | 6 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 301 | 5 | 0 | 3 | 3.2 | O=C(Cc1ccc(Cl)c(Cl)c1)OCCN1CCCC1 | nan | ||
| 6604010 | 194467 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 | nan | ||
| CHEMBL561144 | 194467 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 | nan | ||
| 4914 | 195672 | 95 | None | -3 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 236 | 6 | 1 | 4 | 1.8 | CCN(CC)CCOC(=O)c1ccc(N)cc1 | nan | ||
| CHEMBL1200841 | 195672 | 95 | None | -3 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 236 | 6 | 1 | 4 | 1.8 | CCN(CC)CCOC(=O)c1ccc(N)cc1 | nan | ||
| CHEMBL569 | 195672 | 95 | None | -3 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 236 | 6 | 1 | 4 | 1.8 | CCN(CC)CCOC(=O)c1ccc(N)cc1 | nan | ||
| 5411 | 202335 | 86 | None | -6 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | nan | ||
| CHEMBL698 | 202335 | 86 | None | -6 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | nan | ||
| 2051 | 203577 | 99 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 315 | 4 | 1 | 5 | 4.0 | COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC | nan | ||
| CHEMBL7917 | 203577 | 99 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 315 | 4 | 1 | 5 | 4.0 | COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC | nan | ||
| 3036746 | 206209 | 10 | None | -151 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12 | nan | ||
| CHEMBL97 | 206209 | 10 | None | -151 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12 | nan | ||
| 2419 | 688 | 22 | None | -5495 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | nan | ||
| 9 | 688 | 22 | None | -5495 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | nan | ||
| CHEMBL13647 | 688 | 22 | None | -5495 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | nan | ||
| 3151 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 945 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 965 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| CHEMBL219916 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| DB01184 | 1434 | 93 | None | -5011 | 18 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | ||
| 1353 | 1880 | 85 | None | -5888 | 27 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 1880 | 85 | None | -5888 | 27 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 1880 | 85 | None | -5888 | 27 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 1880 | 85 | None | -5888 | 27 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 1880 | 85 | None | -5888 | 27 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 6603897 | 2216 | 19 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 418 | 3 | 1 | 3 | 3.5 | Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | nan | ||
| 978 | 2216 | 19 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 418 | 3 | 1 | 3 | 3.5 | Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | nan | ||
| CHEMBL60518 | 2216 | 19 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 418 | 3 | 1 | 3 | 3.5 | Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | nan | ||
| 121930 | 2364 | 29 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 3.7 | Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F | nan | ||
| 18 | 2364 | 29 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 3.7 | Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F | nan | ||
| CHEMBL1256693 | 2364 | 29 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 3.7 | Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F | nan | ||
| 1960 | 2815 | 64 | None | -2398 | 13 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 439260 | 2815 | 64 | None | -2398 | 13 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 505 | 2815 | 64 | None | -2398 | 13 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL1437 | 2815 | 64 | None | -2398 | 13 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00368 | 2815 | 64 | None | -2398 | 13 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 2402 | 3318 | 58 | None | -1737 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| 5095 | 3318 | 58 | None | -1737 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| 7295 | 3318 | 58 | None | -1737 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| CHEMBL589 | 3318 | 58 | None | -1737 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| DB00268 | 3318 | 58 | None | -1737 | 7 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| 121881 | 3434 | 21 | None | -100000 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | nan | ||
| 256 | 3434 | 21 | None | -100000 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | nan | ||
| CHEMBL68131 | 3434 | 21 | None | -100000 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | nan | ||
| 130 | 3444 | 43 | None | -7585 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| 3378093 | 3444 | 43 | None | -7585 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| CHEMBL281350 | 3444 | 43 | None | -7585 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| 2812 | 4711 | 96 | None | -104 | 39 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4711 | 96 | None | -104 | 39 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 4605800 | 5801 | 8 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 452 | 4 | 1 | 3 | 3.9 | O=S1(=O)N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2cccc3c2N1CCC3 | nan | ||
| CHEMBL1079460 | 5801 | 8 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 452 | 4 | 1 | 3 | 3.9 | O=S1(=O)N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2cccc3c2N1CCC3 | nan | ||
| 6603824 | 17060 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 224 | 1 | 1 | 4 | 1.1 | Clc1ccc(N2C[C@@H]3CC[C@H](C2)N3)nn1 | nan | ||
| CHEMBL1256577 | 17060 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 224 | 1 | 1 | 4 | 1.1 | Clc1ccc(N2C[C@@H]3CC[C@H](C2)N3)nn1 | nan | ||
| 6603977 | 17086 | 33 | None | 1 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 334 | 6 | 0 | 4 | 4.9 | O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1 | nan | ||
| CHEMBL1256851 | 17086 | 33 | None | 1 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 334 | 6 | 0 | 4 | 4.9 | O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1 | nan | ||
| 6560355 | 21160 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 434 | 6 | 4 | 12 | 0.2 | Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| CHEMBL1314178 | 21160 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 434 | 6 | 4 | 12 | 0.2 | Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| 5714 | 22751 | 8 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 359 | 10 | 0 | 5 | 3.4 | COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC | nan | ||
| CHEMBL1329438 | 22751 | 8 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 359 | 10 | 0 | 5 | 3.4 | COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC | nan | ||
| 1316 | 24936 | 11 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 191 | 1 | 0 | 1 | 1.6 | C[N+]1(C)CCN(c2ccccc2)CC1 | nan | ||
| CHEMBL134752 | 24936 | 11 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 191 | 1 | 0 | 1 | 1.6 | C[N+]1(C)CCN(c2ccccc2)CC1 | nan | ||
| 1268140 | 27662 | 2 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 337 | 6 | 1 | 3 | 4.2 | CN1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 | nan | ||
| CHEMBL1371478 | 27662 | 2 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 337 | 6 | 1 | 3 | 4.2 | CN1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 | nan | ||
| 6603963 | 30683 | 1 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 231 | 2 | 1 | 2 | 2.9 | CCCN1CC[C@@H]2c3cc(O)ccc3CC[C@H]21 | nan | ||
| CHEMBL1397766 | 30683 | 1 | None | 2 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 231 | 2 | 1 | 2 | 2.9 | CCCN1CC[C@@H]2c3cc(O)ccc3CC[C@H]21 | nan | ||
| 4098 | 32289 | 24 | None | -758 | 12 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32289 | 24 | None | -758 | 12 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32289 | 24 | None | -758 | 12 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| 6604018 | 34840 | 1 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 299 | 2 | 1 | 2 | 3.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 | nan | ||
| CHEMBL1433396 | 34840 | 1 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 299 | 2 | 1 | 2 | 3.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 | nan | ||
| 6603715 | 35179 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 406 | 12 | 0 | 1 | 5.3 | C=CCc1ccc([N+](C)(C)CCC(=O)CC[N+](C)(C)c2ccc(CC=C)cc2)cc1 | nan | ||
| CHEMBL1437831 | 35179 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 406 | 12 | 0 | 1 | 5.3 | C=CCc1ccc([N+](C)(C)CCC(=O)CC[N+](C)(C)c2ccc(CC=C)cc2)cc1 | nan | ||
| 6093336 | 35748 | 17 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@H](Oc1ccccc1C)c1ccccc1 | nan | ||
| CHEMBL1442868 | 35748 | 17 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@H](Oc1ccccc1C)c1ccccc1 | nan | ||
| 6603990 | 39291 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 370 | 7 | 2 | 4 | 2.5 | NC(=O)c1ccc(OC[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1 | nan | ||
| CHEMBL1472903 | 39291 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 370 | 7 | 2 | 4 | 2.5 | NC(=O)c1ccc(OC[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1 | nan | ||
| 6603965 | 43944 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 572 | 4 | 0 | 4 | 6.1 | CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@@]4(C)[C@H]3CC[C@@]12C | nan | ||
| CHEMBL1516477 | 43944 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 572 | 4 | 0 | 4 | 6.1 | CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@@]4(C)[C@H]3CC[C@@]12C | nan | ||
| 6603895 | 45794 | 0 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 384 | 4 | 1 | 5 | 3.5 | CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@H](C)O)CN(C)[C@H]1C2 | nan | ||
| CHEMBL1533186 | 45794 | 0 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 384 | 4 | 1 | 5 | 3.5 | CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@H](C)O)CN(C)[C@H]1C2 | nan | ||
| 1989 | 51986 | 69 | None | -2238 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 324 | 4 | 2 | 4 | 2.2 | CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | nan | ||
| CHEMBL1589 | 51986 | 69 | None | -2238 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 324 | 4 | 2 | 4 | 2.2 | CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | nan | ||
| 6604025 | 52204 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 308 | 3 | 2 | 4 | 2.4 | N#C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21 | nan | ||
| CHEMBL1591332 | 52204 | 1 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 308 | 3 | 2 | 4 | 2.4 | N#C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21 | nan | ||
| 6603776 | 52419 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 649 | 9 | 0 | 2 | 10.3 | Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(C[C@@H](OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1 | nan | ||
| CHEMBL1594216 | 52419 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 649 | 9 | 0 | 2 | 10.3 | Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(C[C@@H](OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1 | nan | ||
| 6852254 | 52420 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | nan | ||
| CHEMBL1357401 | 52420 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | nan | ||
| CHEMBL1594227 | 52420 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | nan | ||
| 6603875 | 53286 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 303 | 4 | 1 | 1 | 3.2 | CC(C)N[C@@H](C)Cc1ccc(I)cc1 | nan | ||
| CHEMBL1602185 | 53286 | 2 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 303 | 4 | 1 | 1 | 3.2 | CC(C)N[C@@H](C)Cc1ccc(I)cc1 | nan | ||
| 108107 | 79534 | 30 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | nan | ||
| 156592250 | 79534 | 30 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | nan | ||
| CHEMBL1256878 | 79534 | 30 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | nan | ||
| CHEMBL212579 | 79534 | 30 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | nan | ||
| 6035 | 84212 | 89 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 306 | 2 | 3 | 6 | -1.1 | O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br | nan | ||
| CHEMBL222280 | 84212 | 89 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 306 | 2 | 3 | 6 | -1.1 | O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br | nan | ||
| 6603798 | 99717 | 5 | None | -1995 | 4 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 311 | 2 | 3 | 4 | 3.3 | CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL1613539 | 99717 | 5 | None | -1995 | 4 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 311 | 2 | 3 | 4 | 3.3 | CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL288096 | 99717 | 5 | None | -1995 | 4 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 311 | 2 | 3 | 4 | 3.3 | CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| 5353593 | 100822 | 31 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 264 | 2 | 1 | 2 | 3.2 | CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 | nan | ||
| CHEMBL296455 | 100822 | 31 | None | 1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 264 | 2 | 1 | 2 | 3.2 | CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 | nan | ||
| 126402 | 102411 | 31 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 317 | 5 | 0 | 4 | 2.8 | O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1 | nan | ||
| CHEMBL305881 | 102411 | 31 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 317 | 5 | 0 | 4 | 2.8 | O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1 | nan | ||
| 104973 | 110868 | 12 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 334 | 5 | 2 | 4 | 3.0 | CN(CCCl)Cc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | nan | ||
| CHEMBL326967 | 110868 | 12 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 334 | 5 | 2 | 4 | 3.0 | CN(CCCl)Cc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | nan | ||
| 5458656 | 120118 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(\c1ccc(Br)cc1)c1cccnc1 | nan | ||
| CHEMBL354646 | 120118 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(\c1ccc(Br)cc1)c1cccnc1 | nan | ||
| 448949 | 120279 | 83 | None | 5 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 355 | 2 | 3 | 3 | 5.2 | O=Nc1c(-c2c(O)[nH]c3cc(Br)ccc23)[nH]c2ccccc12 | nan | ||
| CHEMBL355496 | 120279 | 83 | None | 5 | 3 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 355 | 2 | 3 | 3 | 5.2 | O=Nc1c(-c2c(O)[nH]c3cc(Br)ccc23)[nH]c2ccccc12 | nan | ||
| 91769 | 162816 | 19 | None | 3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 381 | 8 | 1 | 5 | 5.2 | c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1 | nan | ||
| CHEMBL419296 | 162816 | 19 | None | 3 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 381 | 8 | 1 | 5 | 5.2 | c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1 | nan | ||
| 145947723 | 167119 | 0 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 532 | 8 | 3 | 8 | -0.9 | NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](c4ccccc4)S(=O)(=O)[O-])[C@@H]3SC2)cc1 | nan | ||
| CHEMBL1474232 | 167119 | 0 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 532 | 8 | 3 | 8 | -0.9 | NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](c4ccccc4)S(=O)(=O)[O-])[C@@H]3SC2)cc1 | nan | ||
| CHEMBL4302095 | 167119 | 0 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 532 | 8 | 3 | 8 | -0.9 | NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@H](c4ccccc4)S(=O)(=O)[O-])[C@@H]3SC2)cc1 | nan | ||
| 6604010 | 194467 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 | nan | ||
| CHEMBL561144 | 194467 | 3 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 352 | 5 | 1 | 4 | 2.7 | CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 | nan | ||
| 6603740 | 202581 | 5 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 354 | 4 | 0 | 2 | 4.0 | O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1 | nan | ||
| CHEMBL71294 | 202581 | 5 | None | - | 1 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 354 | 4 | 0 | 2 | 4.0 | O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1 | nan | ||
| 667601 | 203329 | 33 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 220 | 2 | 3 | 4 | 1.3 | N#C/C(=C\c1ccc(O)c(O)c1)C(N)=S | nan | ||
| CHEMBL77030 | 203329 | 33 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 220 | 2 | 3 | 4 | 1.3 | N#C/C(=C\c1ccc(O)c(O)c1)C(N)=S | nan | ||
| 28767 | 204571 | 29 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 271 | 6 | 0 | 2 | 3.3 | C#CCN(C)CCCOc1ccc(Cl)cc1Cl | nan | ||
| 4380 | 204571 | 29 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 271 | 6 | 0 | 2 | 3.3 | C#CCN(C)CCCOc1ccc(Cl)cc1Cl | nan | ||
| CHEMBL8706 | 204571 | 29 | None | -1 | 2 | Rat | 4.9 | pPotency | = | 4.9 | Functional | ChEMBL | 271 | 6 | 0 | 2 | 3.3 | C#CCN(C)CCCOc1ccc(Cl)cc1Cl | nan | ||
| 1734 | 116 | 8 | None | -23 | 6 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | nan | ||
| 307 | 116 | 8 | None | -23 | 6 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | nan | ||
| CHEMBL168067 | 116 | 8 | None | -23 | 6 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | nan | ||
| 2405 | 658 | 71 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | nan | ||
| 380 | 658 | 71 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | nan | ||
| 7129 | 658 | 71 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | nan | ||
| CHEMBL645 | 658 | 71 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | nan | ||
| DB00612 | 658 | 71 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | nan | ||
| 1725 | 16626 | 48 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 135 | 1 | 3 | 2 | 0.6 | N=C(N)c1ccc(N)cc1 | nan | ||
| CHEMBL124632 | 16626 | 48 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 135 | 1 | 3 | 2 | 0.6 | N=C(N)c1ccc(N)cc1 | nan | ||
| 6603806 | 187730 | 6 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 182 | 5 | 3 | 3 | -0.2 | NCCC[C@@](N)(C(=O)O)C(F)F | nan | ||
| CHEMBL500575 | 187730 | 6 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 182 | 5 | 3 | 3 | -0.2 | NCCC[C@@](N)(C(=O)O)C(F)F | nan | ||
| 688477 | 21464 | 1 | None | -1 | 2 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 246 | 1 | 3 | 6 | -1.7 | C[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1318173 | 21464 | 1 | None | -1 | 2 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 246 | 1 | 3 | 6 | -1.7 | C[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O | nan | ||
| 6603878 | 34933 | 1 | None | 79 | 2 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1434729 | 34933 | 1 | None | 79 | 2 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | nan | ||
| 688024 | 36892 | 3 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2 | nan | ||
| CHEMBL1452657 | 36892 | 3 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2 | nan | ||
| 6603768 | 39318 | 1 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C1\c2ccccc2Sc2cc(Cl)ccc21 | nan | ||
| CHEMBL1473303 | 39318 | 1 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C1\c2ccccc2Sc2cc(Cl)ccc21 | nan | ||
| 4543 | 169982 | 36 | None | -724 | 25 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169982 | 36 | None | -724 | 25 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169982 | 36 | None | -724 | 25 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 5568 | 195823 | 26 | None | 31 | 3 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | nan | ||
| 66069 | 195823 | 26 | None | 31 | 3 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | nan | ||
| CHEMBL1201102 | 195823 | 26 | None | 31 | 3 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | nan | ||
| CHEMBL570 | 195823 | 26 | None | 31 | 3 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | nan | ||
| 4976 | 201885 | 27 | None | -28 | 2 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | nan | ||
| CHEMBL668 | 201885 | 27 | None | -28 | 2 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | nan | ||
| 445125 | 16286 | 66 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 206 | 5 | 1 | 3 | 2.8 | O=C(O)CCCC[C@H]1CCSS1 | nan | ||
| CHEMBL1234071 | 16286 | 66 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 206 | 5 | 1 | 3 | 2.8 | O=C(O)CCCC[C@H]1CCSS1 | nan | ||
| 135973538 | 3654 | 30 | None | -13 | 7 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | nan | ||
| 1728 | 3654 | 30 | None | -13 | 7 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | nan | ||
| 2966 | 3654 | 30 | None | -13 | 7 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | nan | ||
| 4261196 | 3654 | 30 | None | -13 | 7 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | nan | ||
| 5361 | 3654 | 30 | None | -13 | 7 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | nan | ||
| CHEMBL265502 | 3654 | 30 | None | -13 | 7 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | nan | ||
| DB04786 | 3654 | 30 | None | -13 | 7 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | nan | ||
| 6603776 | 52419 | 2 | None | - | 1 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 649 | 9 | 0 | 2 | 10.3 | Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(C[C@@H](OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1 | nan | ||
| CHEMBL1594216 | 52419 | 2 | None | - | 1 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 649 | 9 | 0 | 2 | 10.3 | Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(C[C@@H](OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1 | nan | ||
| 3455 | 98765 | 35 | None | -1 | 5 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 450 | 10 | 0 | 3 | 5.3 | Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL281594 | 98765 | 35 | None | -1 | 5 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 450 | 10 | 0 | 3 | 5.3 | Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL543876 | 98765 | 35 | None | -1 | 5 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 450 | 10 | 0 | 3 | 5.3 | Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 | nan | ||
| 2726 | 906 | 64 | None | -436 | 35 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 906 | 64 | None | -436 | 35 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 906 | 64 | None | -436 | 35 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 906 | 64 | None | -436 | 35 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 906 | 64 | None | -436 | 35 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 11401613 | 27817 | 32 | None | - | 1 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 213 | 0 | 0 | 1 | 4.0 | Clc1nccc2c1ccc1ccccc12 | nan | ||
| CHEMBL1372588 | 27817 | 32 | None | - | 1 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 213 | 0 | 0 | 1 | 4.0 | Clc1nccc2c1ccc1ccccc12 | nan | ||
| 6560181 | 44199 | 1 | None | -3 | 2 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 394 | 3 | 0 | 6 | 3.7 | C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 | nan | ||
| CHEMBL1518927 | 44199 | 1 | None | -3 | 2 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 394 | 3 | 0 | 6 | 3.7 | C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 | nan | ||
| 2998 | 203102 | 98 | None | - | 1 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 293 | 10 | 2 | 3 | 3.8 | CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 | nan | ||
| CHEMBL75124 | 203102 | 98 | None | - | 1 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 293 | 10 | 2 | 3 | 3.8 | CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 | nan | ||
| 2198843 | 19757 | 6 | None | -1 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.8 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1 | nan | ||
| CHEMBL1302946 | 19757 | 6 | None | -1 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.8 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1 | nan | ||
| 1901377 | 29484 | 9 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 278 | 3 | 1 | 4 | 1.6 | C=CCN1C(=O)/C(=C/c2cccs2)C(=O)NC1=S | nan | ||
| CHEMBL1386409 | 29484 | 9 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 278 | 3 | 1 | 4 | 1.6 | C=CCN1C(=O)/C(=C/c2cccs2)C(=O)NC1=S | nan | ||
| 2765 | 930 | 16 | None | -1000 | 7 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | nan | ||
| 515 | 930 | 16 | None | -1000 | 7 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | nan | ||
| CHEMBL13852 | 930 | 16 | None | -1000 | 7 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | nan | ||
| DB09202 | 930 | 16 | None | -1000 | 7 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | nan | ||
| 122 | 1409 | 9 | None | -1412 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | nan | ||
| 156314 | 1409 | 9 | None | -1412 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | nan | ||
| CHEMBL1332062 | 1409 | 9 | None | -1412 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | nan | ||
| 1222 | 1634 | 44 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 3396 | 1634 | 44 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 85 | 1634 | 44 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| CHEMBL46516 | 1634 | 44 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| DB04842 | 1634 | 44 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 1524 | 2150 | 89 | None | -5888 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | nan | ||
| 197 | 2150 | 89 | None | -5888 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | nan | ||
| 3822 | 2150 | 89 | None | -5888 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | nan | ||
| 88 | 2150 | 89 | None | -5888 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | nan | ||
| CHEMBL51 | 2150 | 89 | None | -5888 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | nan | ||
| DB12465 | 2150 | 89 | None | -5888 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | nan | ||
| 6603897 | 2216 | 19 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 418 | 3 | 1 | 3 | 3.5 | Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | nan | ||
| 978 | 2216 | 19 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 418 | 3 | 1 | 3 | 3.5 | Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | nan | ||
| CHEMBL60518 | 2216 | 19 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 418 | 3 | 1 | 3 | 3.5 | Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | nan | ||
| 57242 | 3208 | 16 | None | -15848 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCC[C@H]2[C@H]1Cc1cnc(nc1C2)N | nan | ||
| 954 | 3208 | 16 | None | -15848 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCC[C@H]2[C@H]1Cc1cnc(nc1C2)N | nan | ||
| CHEMBL155731 | 3208 | 16 | None | -15848 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCC[C@H]2[C@H]1Cc1cnc(nc1C2)N | nan | ||
| 2351 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 255 | 3433 | 13 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 2.8 | O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1 | nan | ||
| 3272300 | 3433 | 13 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 2.8 | O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1 | nan | ||
| CHEMBL1255781 | 3433 | 13 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 2.8 | O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1 | nan | ||
| 130 | 3444 | 43 | None | -7585 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| 3378093 | 3444 | 43 | None | -7585 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| CHEMBL281350 | 3444 | 43 | None | -7585 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 520 | 3 | 0 | 6 | 5.6 | CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| 5615 | 3836 | 4 | None | -2511 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 4.0 | CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C | nan | ||
| 5781 | 3836 | 4 | None | -2511 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 4.0 | CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C | nan | ||
| CHEMBL1179189 | 3836 | 4 | None | -2511 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 4.0 | CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C | nan | ||
| 1652 | 3839 | 14 | None | -17378 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 3036289 | 3839 | 14 | None | -17378 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| CHEMBL441765 | 3839 | 14 | None | -17378 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 168 | 3919 | 11 | None | -1445 | 5 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | nan | ||
| 6604042 | 3919 | 11 | None | -1445 | 5 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | nan | ||
| CHEMBL309760 | 3919 | 11 | None | -1445 | 5 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | nan | ||
| 4605800 | 5801 | 8 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 452 | 4 | 1 | 3 | 3.9 | O=S1(=O)N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2cccc3c2N1CCC3 | nan | ||
| CHEMBL1079460 | 5801 | 8 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 452 | 4 | 1 | 3 | 3.9 | O=S1(=O)N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2cccc3c2N1CCC3 | nan | ||
| 3925 | 11424 | 8 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 263 | 6 | 1 | 1 | 3.1 | CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C | nan | ||
| CHEMBL1180496 | 11424 | 8 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 263 | 6 | 1 | 1 | 3.1 | CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C | nan | ||
| 10921 | 12934 | 19 | None | -173 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | nan | ||
| 2968 | 12934 | 19 | None | -173 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | nan | ||
| CHEMBL1190 | 12934 | 19 | None | -173 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | nan | ||
| 6603713 | 21388 | 1 | None | -5 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 292 | 0 | 2 | 2 | 3.8 | C[C@@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 | nan | ||
| CHEMBL1317148 | 21388 | 1 | None | -5 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 292 | 0 | 2 | 2 | 3.8 | C[C@@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 | nan | ||
| 6603994 | 21410 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1cc2c(c(Cl)c1O)CCNC[C@H]2c1ccccc1 | nan | ||
| CHEMBL1317463 | 21410 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 289 | 1 | 3 | 3 | 3.0 | Oc1cc2c(c(Cl)c1O)CCNC[C@H]2c1ccccc1 | nan | ||
| 6541426 | 21736 | 2 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | C[C@@H](CCc1ccccc1)N[C@@H](C)[C@H](O)c1ccc(O)cc1 | nan | ||
| CHEMBL1320485 | 21736 | 2 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | C[C@@H](CCc1ccccc1)N[C@@H](C)[C@H](O)c1ccc(O)cc1 | nan | ||
| 6603942 | 25914 | 1 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 491 | 10 | 1 | 4 | 6.0 | CC(C)c1cc(F)cc2c1C[C@](CCN(C)CCCc1nc3ccccc3[nH]1)(OC(=O)C1CC1)CC2 | nan | ||
| CHEMBL1356120 | 25914 | 1 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 491 | 10 | 1 | 4 | 6.0 | CC(C)c1cc(F)cc2c1C[C@](CCN(C)CCCc1nc3ccccc3[nH]1)(OC(=O)C1CC1)CC2 | nan | ||
| CHEMBL1528565 | 25914 | 1 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 491 | 10 | 1 | 4 | 6.0 | CC(C)c1cc(F)cc2c1C[C@](CCN(C)CCCc1nc3ccccc3[nH]1)(OC(=O)C1CC1)CC2 | nan | ||
| 208820 | 26015 | 11 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 216 | 2 | 1 | 3 | 1.8 | CC[C@]1(C2=NCCN2)Cc2ccccc2O1 | nan | ||
| CHEMBL1357517 | 26015 | 11 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 216 | 2 | 1 | 3 | 1.8 | CC[C@]1(C2=NCCN2)Cc2ccccc2O1 | nan | ||
| 6101692 | 26121 | 3 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 382 | 1 | 0 | 6 | 2.7 | C[N+]1(C)CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 | nan | ||
| CHEMBL1358836 | 26121 | 3 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 382 | 1 | 0 | 6 | 2.7 | C[N+]1(C)CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 | nan | ||
| 6604017 | 27440 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 465 | 16 | 1 | 1 | 8.6 | CCCCCCCCCC[Si](C)(C)CCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1 | nan | ||
| CHEMBL1369855 | 27440 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 465 | 16 | 1 | 1 | 8.6 | CCCCCCCCCC[Si](C)(C)CCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1 | nan | ||
| 5537 | 32242 | 19 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 405 | 3 | 0 | 6 | 3.6 | COc1cc2c(cc1OC)-c1c/c(=N/c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2 | nan | ||
| CHEMBL1411581 | 32242 | 19 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 405 | 3 | 0 | 6 | 3.6 | COc1cc2c(cc1OC)-c1c/c(=N/c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2 | nan | ||
| 6604008 | 39377 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21 | nan | ||
| CHEMBL1474110 | 39377 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21 | nan | ||
| 6604137 | 48045 | 0 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 415 | 2 | 2 | 5 | 3.8 | Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 | nan | ||
| CHEMBL1371893 | 48045 | 0 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 415 | 2 | 2 | 5 | 3.8 | Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 | nan | ||
| CHEMBL1553819 | 48045 | 0 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 415 | 2 | 2 | 5 | 3.8 | Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 | nan | ||
| 6604022 | 48596 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 179 | 0 | 1 | 3 | 0.1 | C[C@@H]1C(=O)N(C)C(=O)c2[nH]cnc21 | nan | ||
| CHEMBL1559319 | 48596 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 179 | 0 | 1 | 3 | 0.1 | C[C@@H]1C(=O)N(C)C(=O)c2[nH]cnc21 | nan | ||
| 688591 | 53876 | 15 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NC[C@H](O)c1ccccc1Cl | nan | ||
| CHEMBL1607062 | 53876 | 15 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NC[C@H](O)c1ccccc1Cl | nan | ||
| 6603723 | 53973 | 19 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 263 | 5 | 1 | 2 | 3.6 | c1ccc(CN(Cc2ncc[nH]2)c2ccccc2)cc1 | nan | ||
| CHEMBL1607809 | 53973 | 19 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 263 | 5 | 1 | 2 | 3.6 | c1ccc(CN(Cc2ncc[nH]2)c2ccccc2)cc1 | nan | ||
| 6603784 | 54569 | 1 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COP(=O)([O-])OCC[n+]1ccsc1)OC | nan | ||
| CHEMBL1612908 | 54569 | 1 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 592 | 27 | 1 | 8 | 6.5 | CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COP(=O)([O-])OCC[n+]1ccsc1)OC | nan | ||
| 6604150 | 54882 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 295 | 7 | 4 | 4 | 0.4 | O=C(O)CC[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)O | nan | ||
| CHEMBL1314622 | 54882 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 295 | 7 | 4 | 4 | 0.4 | O=C(O)CC[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)O | nan | ||
| CHEMBL1617405 | 54882 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 295 | 7 | 4 | 4 | 0.4 | O=C(O)CC[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)O | nan | ||
| 5039 | 62853 | 13 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | nan | ||
| CHEMBL1790041 | 62853 | 13 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | nan | ||
| 104845 | 67262 | 25 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 332 | 1 | 1 | 3 | 3.8 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C | nan | ||
| CHEMBL190279 | 67262 | 25 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 332 | 1 | 1 | 3 | 3.8 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C | nan | ||
| 108107 | 79534 | 30 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | nan | ||
| 156592250 | 79534 | 30 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | nan | ||
| CHEMBL1256878 | 79534 | 30 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | nan | ||
| CHEMBL212579 | 79534 | 30 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | nan | ||
| 6603997 | 99448 | 8 | None | -5 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 295 | 3 | 2 | 3 | 3.3 | C=CCN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 | nan | ||
| CHEMBL286120 | 99448 | 8 | None | -5 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 295 | 3 | 2 | 3 | 3.3 | C=CCN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 | nan | ||
| 1884 | 104604 | 66 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 223 | 1 | 2 | 3 | 2.3 | O=C(O)c1cc(O)c2ccc(Cl)cc2n1 | nan | ||
| CHEMBL311389 | 104604 | 66 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 223 | 1 | 2 | 3 | 2.3 | O=C(O)c1cc(O)c2ccc(Cl)cc2n1 | nan | ||
| 1720 | 116494 | 67 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 212 | 0 | 2 | 3 | 1.3 | Nc1ccc2c3c(cccc13)C(=O)NC2=O | nan | ||
| CHEMBL338790 | 116494 | 67 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 212 | 0 | 2 | 3 | 1.3 | Nc1ccc2c3c(cccc13)C(=O)NC2=O | nan | ||
| 4656 | 122445 | 6 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 355 | 1 | 2 | 1 | 2.8 | Clc1cc(I)cc(Cl)c1N=C1NCCN1 | nan | ||
| CHEMBL360803 | 122445 | 6 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 355 | 1 | 2 | 1 | 2.8 | Clc1cc(I)cc(Cl)c1N=C1NCCN1 | nan | ||
| 6603740 | 202581 | 5 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 354 | 4 | 0 | 2 | 4.0 | O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1 | nan | ||
| CHEMBL71294 | 202581 | 5 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 354 | 4 | 0 | 2 | 4.0 | O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1 | nan | ||
| 202478 | 202981 | 15 | None | -10 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | nan | ||
| CHEMBL7393 | 202981 | 15 | None | -10 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | nan | ||
| 3108 | 205556 | 112 | None | -1 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | nan | ||
| CHEMBL932 | 205556 | 112 | None | -1 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 504 | 12 | 4 | 12 | -0.0 | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | nan | ||
| 2438 | 718 | 86 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 230 | 1 | 2 | 2 | 2.7 | CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | nan | ||
| 3927 | 718 | 86 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 230 | 1 | 2 | 2 | 2.7 | CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | nan | ||
| CHEMBL1371156 | 718 | 86 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 230 | 1 | 2 | 2 | 2.7 | CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | nan | ||
| 1355 | 1980 | 82 | None | -912 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | nan | ||
| 142 | 1980 | 82 | None | -912 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | nan | ||
| CHEMBL478 | 1980 | 82 | None | -912 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | nan | ||
| DB12110 | 1980 | 82 | None | -912 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | nan | ||
| 1599 | 2309 | 47 | None | -12022 | 13 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 3955 | 2309 | 47 | None | -12022 | 13 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 7215 | 2309 | 47 | None | -12022 | 13 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL841 | 2309 | 47 | None | -12022 | 13 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| DB00836 | 2309 | 47 | None | -12022 | 13 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 1227 | 2454 | 35 | None | -4265 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 2331 | 2454 | 35 | None | -4265 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 3957 | 2454 | 35 | None | -4265 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 4992 | 2454 | 35 | None | -4265 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| CHEMBL511 | 2454 | 35 | None | -4265 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| DB06691 | 2454 | 35 | None | -4265 | 10 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 285 | 7 | 0 | 4 | 2.7 | COc1ccc(cc1)CN(c1ccccn1)CCN(C)C | nan | ||
| 133 | 2460 | 48 | None | -44668 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 2460 | 48 | None | -44668 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 2460 | 48 | None | -44668 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 2460 | 48 | None | -44668 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 2460 | 48 | None | -44668 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 16362 | 3076 | 67 | None | -245 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| 2172 | 3076 | 67 | None | -245 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| 90 | 3076 | 67 | None | -245 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| CHEMBL1423 | 3076 | 67 | None | -245 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| DB01100 | 3076 | 67 | None | -245 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| 2351 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 2820 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5035 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| CHEMBL81 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| DB00481 | 3234 | 60 | None | -2454 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | ||
| 5074 | 3280 | 75 | None | -426 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | nan | ||
| 97 | 3280 | 75 | None | -426 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | nan | ||
| CHEMBL267777 | 3280 | 75 | None | -426 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | nan | ||
| DB12693 | 3280 | 75 | None | -426 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | nan | ||
| 221 | 3435 | 63 | None | -15 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | nan | ||
| 3277600 | 3435 | 63 | None | -15 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | nan | ||
| CHEMBL323356 | 3435 | 63 | None | -15 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 286 | 2 | 2 | 4 | 3.6 | O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C | nan | ||
| 5615 | 3836 | 4 | None | -2511 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 4.0 | CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C | nan | ||
| 5781 | 3836 | 4 | None | -2511 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 4.0 | CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C | nan | ||
| CHEMBL1179189 | 3836 | 4 | None | -2511 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 4.0 | CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C | nan | ||
| 1652 | 3839 | 14 | None | -17378 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 3036289 | 3839 | 14 | None | -17378 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| CHEMBL441765 | 3839 | 14 | None | -17378 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 168 | 3919 | 11 | None | -1445 | 5 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | nan | ||
| 6604042 | 3919 | 11 | None | -1445 | 5 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | nan | ||
| CHEMBL309760 | 3919 | 11 | None | -1445 | 5 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 254 | 2 | 1 | 2 | 2.2 | C[C@@H](CN1CCc2c1cc(Br)cc2)N | nan | ||
| 44330983 | 4354 | 2 | None | -7 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 2 | 1 | 2 | 3.1 | C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | nan | ||
| CHEMBL101510 | 4354 | 2 | None | -7 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 2 | 1 | 2 | 3.1 | C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | nan | ||
| 1331 | 5339 | 6 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 282 | 6 | 4 | 4 | 2.0 | N=C(N)SCCc1cccc(CCSC(=N)N)c1 | nan | ||
| CHEMBL107201 | 5339 | 6 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 282 | 6 | 4 | 4 | 2.0 | N=C(N)SCCc1cccc(CCSC(=N)N)c1 | nan | ||
| 1548968 | 10437 | 18 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| CHEMBL1169388 | 10437 | 18 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| 5360697 | 16887 | 16 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 0 | 1 | 2 | 3.1 | CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 | nan | ||
| CHEMBL1254766 | 16887 | 16 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 0 | 1 | 2 | 3.1 | CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 | nan | ||
| CHEMBL1426948 | 16887 | 16 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 0 | 1 | 2 | 3.1 | CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 | nan | ||
| 6541426 | 21736 | 2 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | C[C@@H](CCc1ccccc1)N[C@@H](C)[C@H](O)c1ccc(O)cc1 | nan | ||
| CHEMBL1320485 | 21736 | 2 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 299 | 7 | 3 | 3 | 3.4 | C[C@@H](CCc1ccccc1)N[C@@H](C)[C@H](O)c1ccc(O)cc1 | nan | ||
| 6603727 | 22176 | 3 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | C[C@@H](COc1ccccc1)N(CCCl)Cc1ccccc1 | nan | ||
| CHEMBL1324405 | 22176 | 3 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 303 | 8 | 0 | 2 | 4.2 | C[C@@H](COc1ccccc1)N(CCCl)Cc1ccccc1 | nan | ||
| 6603871 | 25908 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 330 | 1 | 1 | 3 | 3.8 | CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C | nan | ||
| CHEMBL1356093 | 25908 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 330 | 1 | 1 | 3 | 3.8 | CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C | nan | ||
| 6604046 | 25949 | 3 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 199 | 3 | 3 | 5 | -2.1 | N[C@H](Cn1ccc(=O)[nH]c1=O)C(=O)O | nan | ||
| CHEMBL1356611 | 25949 | 3 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 199 | 3 | 3 | 5 | -2.1 | N[C@H](Cn1ccc(=O)[nH]c1=O)C(=O)O | nan | ||
| 6604002 | 26313 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 449 | 9 | 0 | 4 | 4.8 | C=CCN1C[C@@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C | nan | ||
| CHEMBL1360454 | 26313 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 449 | 9 | 0 | 4 | 4.8 | C=CCN1C[C@@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C | nan | ||
| 6603909 | 26739 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1 | nan | ||
| CHEMBL1364291 | 26739 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1 | nan | ||
| 1385580 | 29063 | 73 | None | -1047 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | nan | ||
| 4615 | 29063 | 73 | None | -1047 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | nan | ||
| CHEMBL13828 | 29063 | 73 | None | -1047 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | nan | ||
| 6604038 | 36414 | 1 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 610 | 6 | 0 | 8 | 5.2 | C[C@@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@H]12 | nan | ||
| CHEMBL1448859 | 36414 | 1 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 610 | 6 | 0 | 8 | 5.2 | C[C@@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@H]12 | nan | ||
| 6603813 | 39478 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | O=C(CCCN1C=C[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL1475507 | 39478 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | O=C(CCCN1C=C[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 688042 | 45145 | 14 | None | -112 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 282 | 1 | 0 | 3 | 2.9 | Brc1ccc([C@H]2CN3CCSC3=N2)cc1 | nan | ||
| CHEMBL1527442 | 45145 | 14 | None | -112 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 282 | 1 | 0 | 3 | 2.9 | Brc1ccc([C@H]2CN3CCSC3=N2)cc1 | nan | ||
| 6603748 | 50211 | 4 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 243 | 2 | 1 | 5 | 2.4 | N#CSc1ccc2oc(C3=NCCN3)cc2c1 | nan | ||
| CHEMBL157351 | 50211 | 4 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 243 | 2 | 1 | 5 | 2.4 | N#CSc1ccc2oc(C3=NCCN3)cc2c1 | nan | ||
| 146015336 | 53067 | 107 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| 1775 | 53067 | 107 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL16 | 53067 | 107 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1611 | 53067 | 107 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| 6603962 | 53422 | 24 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 244 | 2 | 4 | 4 | 2.7 | Oc1cc(O)cc(/C=C\c2ccc(O)c(O)c2)c1 | nan | ||
| CHEMBL1603409 | 53422 | 24 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 244 | 2 | 4 | 4 | 2.7 | Oc1cc(O)cc(/C=C\c2ccc(O)c(O)c2)c1 | nan | ||
| 6603832 | 54267 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 340 | 6 | 2 | 4 | 2.7 | CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCN(CC)C2)c1O | nan | ||
| CHEMBL1610296 | 54267 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 340 | 6 | 2 | 4 | 2.7 | CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCN(CC)C2)c1O | nan | ||
| 104999 | 60055 | 34 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.0 | CCc1c(C(=O)OC)[nH]cc2nc3cc(OC)c(OC)cc3c1-2 | nan | ||
| CHEMBL17468 | 60055 | 34 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.0 | CCc1c(C(=O)OC)[nH]cc2nc3cc(OC)c(OC)cc3c1-2 | nan | ||
| 4197 | 67099 | 110 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 211 | 1 | 1 | 3 | 1.6 | Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 | nan | ||
| CHEMBL189 | 67099 | 110 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 211 | 1 | 1 | 3 | 1.6 | Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 | nan | ||
| 4485 | 69036 | 112 | None | -100 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
| CHEMBL193 | 69036 | 112 | None | -100 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
| 11957556 | 74137 | 21 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 524 | 8 | 4 | 8 | 0.5 | COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1.NS(=O)(=O)O | nan | ||
| 6604955 | 74137 | 21 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 524 | 8 | 4 | 8 | 0.5 | COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1.NS(=O)(=O)O | nan | ||
| CHEMBL2028085 | 74137 | 21 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 524 | 8 | 4 | 8 | 0.5 | COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1.NS(=O)(=O)O | nan | ||
| 5639 | 98438 | 70 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | nan | ||
| CHEMBL279229 | 98438 | 70 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | nan | ||
| 6603759 | 100362 | 10 | None | -60 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 2 | 1 | 2 | 3.3 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 | nan | ||
| CHEMBL293349 | 100362 | 10 | None | -60 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 2 | 1 | 2 | 3.3 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 | nan | ||
| 5328773 | 100424 | 9 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 308 | 5 | 3 | 4 | 2.4 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCc1ccccc1 | nan | ||
| CHEMBL293749 | 100424 | 9 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 308 | 5 | 3 | 4 | 2.4 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCc1ccccc1 | nan | ||
| 11953816 | 116566 | 19 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 399 | 19 | 0 | 4 | 4.2 | CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C | nan | ||
| CHEMBL3392050 | 116566 | 19 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 399 | 19 | 0 | 4 | 4.2 | CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C | nan | ||
| 92305 | 122782 | 16 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL36148 | 122782 | 16 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| 4350931 | 168747 | 39 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | nan | ||
| CHEMBL441618 | 168747 | 39 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | nan | ||
| 1779 | 187867 | 62 | None | 15 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 1 | 2 | 3 | 2.9 | O=C(O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 | nan | ||
| CHEMBL50267 | 187867 | 62 | None | 15 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 1 | 2 | 3 | 2.9 | O=C(O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 | nan | ||
| 5328779 | 195101 | 90 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 294 | 4 | 3 | 4 | 2.3 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1 | nan | ||
| CHEMBL56543 | 195101 | 90 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 294 | 4 | 3 | 4 | 2.3 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1 | nan | ||
| 2918 | 2174 | 117 | None | 616 | 4 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | nan | ||
| 3845 | 2174 | 117 | None | 616 | 4 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | nan | ||
| CHEMBL299155 | 2174 | 117 | None | 616 | 4 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | nan | ||
| DB11937 | 2174 | 117 | None | 616 | 4 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 1 | 2 | 2 | 1.2 | OC(=O)c1cc(=O)c2c([nH]1)cccc2 | nan | ||
| 3661570 | 2603 | 47 | None | 707 | 3 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | nan | ||
| 474 | 2603 | 47 | None | 707 | 3 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | nan | ||
| CHEMBL111545 | 2603 | 47 | None | 707 | 3 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | nan | ||
| 1370 | 3212 | 62 | None | 6 | 6 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | nan | ||
| 1372 | 3212 | 62 | None | 6 | 6 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | nan | ||
| 40539 | 3212 | 62 | None | 6 | 6 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | nan | ||
| 6971145 | 3212 | 62 | None | 6 | 6 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | nan | ||
| CHEMBL279956 | 3212 | 62 | None | 6 | 6 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | nan | ||
| DB02999 | 3212 | 62 | None | 6 | 6 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | nan | ||
| 1738 | 48876 | 120 | None | 177 | 2 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 182 | 3 | 2 | 3 | 1.0 | COc1cc(CC(=O)O)ccc1O | nan | ||
| CHEMBL1562 | 48876 | 120 | None | 177 | 2 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 182 | 3 | 2 | 3 | 1.0 | COc1cc(CC(=O)O)ccc1O | nan | ||
| 1617430 | 101715 | 32 | None | 112 | 2 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 225 | 7 | 4 | 3 | 0.1 | N[C@H](CCCCCP(=O)(O)O)C(=O)O | nan | ||
| CHEMBL302783 | 101715 | 32 | None | 112 | 2 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 225 | 7 | 4 | 3 | 0.1 | N[C@H](CCCCCP(=O)(O)O)C(=O)O | nan | ||
| 6603850 | 153790 | 22 | None | 18 | 2 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 414 | 7 | 2 | 4 | 3.4 | O=C(NC[C@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F | nan | ||
| CHEMBL398673 | 153790 | 22 | None | 18 | 2 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 414 | 7 | 2 | 4 | 3.4 | O=C(NC[C@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F | nan | ||
| 4628 | 161958 | 96 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 261 | 2 | 1 | 5 | 1.4 | CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3 | nan | ||
| CHEMBL416755 | 161958 | 96 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 261 | 2 | 1 | 5 | 1.4 | CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3 | nan | ||
| 4217 | 166709 | 19 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 324 | 2 | 1 | 3 | 2.5 | O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1 | nan | ||
| CHEMBL429298 | 166709 | 19 | None | - | 1 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 324 | 2 | 1 | 3 | 2.5 | O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1 | nan | ||
| 5311346 | 202453 | 22 | None | -467 | 5 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21 | nan | ||
| CHEMBL1256778 | 202453 | 22 | None | -467 | 5 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21 | nan | ||
| CHEMBL70565 | 202453 | 22 | None | -467 | 5 | Rat | 7.8 | pPotency | = | 7.8 | Functional | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21 | nan | ||
| 1530 | 2151 | 44 | None | -30 | 21 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2151 | 44 | None | -30 | 21 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2151 | 44 | None | -30 | 21 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2151 | 44 | None | -30 | 21 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2151 | 44 | None | -30 | 21 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 6603828 | 8854 | 53 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 402 | 9 | 2 | 5 | 1.9 | NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F | nan | ||
| CHEMBL1097940 | 8854 | 53 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 402 | 9 | 2 | 5 | 1.9 | NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F | nan | ||
| 6603864 | 53101 | 2 | None | 1 | 2 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 349 | 6 | 1 | 2 | 4.2 | O[Si@](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1 | nan | ||
| CHEMBL1600342 | 53101 | 2 | None | 1 | 2 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 349 | 6 | 1 | 2 | 4.2 | O[Si@](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1 | nan | ||
| 1366 | 194323 | 106 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 143 | 1 | 2 | 2 | 0.7 | NC1(C(=O)O)CCCCC1 | nan | ||
| 5140695 | 194323 | 106 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 143 | 1 | 2 | 2 | 0.7 | NC1(C(=O)O)CCCCC1 | nan | ||
| CHEMBL559934 | 194323 | 106 | None | - | 1 | Rat | 6.8 | pPotency | = | 6.8 | Functional | ChEMBL | 143 | 1 | 2 | 2 | 0.7 | NC1(C(=O)O)CCCCC1 | nan | ||
| 1547484 | 927 | 70 | None | -39 | 19 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 927 | 70 | None | -39 | 19 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 927 | 70 | None | -39 | 19 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 927 | 70 | None | -39 | 19 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 927 | 70 | None | -39 | 19 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 184820 | 21985 | 31 | None | 7 | 3 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 | nan | ||
| CHEMBL1256654 | 21985 | 31 | None | 7 | 3 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 | nan | ||
| CHEMBL1322675 | 21985 | 31 | None | 7 | 3 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 | nan | ||
| 154412 | 22810 | 11 | None | 3 | 2 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 | nan | ||
| CHEMBL1329927 | 22810 | 11 | None | 3 | 2 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 | nan | ||
| 2993 | 114194 | 23 | None | 3 | 3 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| CHEMBL121663 | 114194 | 23 | None | 3 | 3 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| CHEMBL333826 | 114194 | 23 | None | 3 | 3 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| 6603726 | 172005 | 2 | None | 1 | 2 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 361 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1CSc2ccccc2O1 | nan | ||
| CHEMBL448784 | 172005 | 2 | None | 1 | 2 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 361 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1CSc2ccccc2O1 | nan | ||
| 6603950 | 201633 | 9 | None | -3467 | 4 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL64875 | 201633 | 9 | None | -3467 | 4 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 4543 | 169982 | 36 | None | -724 | 25 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169982 | 36 | None | -724 | 25 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169982 | 36 | None | -724 | 25 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 1365 | 204813 | 25 | None | - | 1 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 376 | 4 | 1 | 8 | 0.5 | C=CCn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)O)cc3)n2C)n(C)c1=O | nan | ||
| CHEMBL88584 | 204813 | 25 | None | - | 1 | Rat | 5.8 | pPotency | = | 5.8 | Functional | ChEMBL | 376 | 4 | 1 | 8 | 0.5 | C=CCn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)O)cc3)n2C)n(C)c1=O | nan | ||
| 489 | 145 | 22 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | nan | ||
| 5640 | 145 | 22 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | nan | ||
| CHEMBL420060 | 145 | 22 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | nan | ||
| 1192 | 147 | 41 | None | -3 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | nan | ||
| 1794 | 147 | 41 | None | -3 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | nan | ||
| CHEMBL501701 | 147 | 41 | None | -3 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | nan | ||
| 176 | 394 | 63 | None | -398 | 34 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 394 | 63 | None | -398 | 34 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 394 | 63 | None | -398 | 34 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 394 | 63 | None | -398 | 34 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 394 | 63 | None | -398 | 34 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2438 | 718 | 86 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 230 | 1 | 2 | 2 | 2.7 | CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | nan | ||
| 3927 | 718 | 86 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 230 | 1 | 2 | 2 | 2.7 | CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | nan | ||
| CHEMBL1371156 | 718 | 86 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 230 | 1 | 2 | 2 | 2.7 | CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | nan | ||
| 2477 | 734 | 54 | None | -870 | 17 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 36 | 734 | 54 | None | -870 | 17 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 437 | 734 | 54 | None | -870 | 17 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| CHEMBL49 | 734 | 54 | None | -870 | 17 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| DB00490 | 734 | 54 | None | -870 | 17 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 3303 | 2213 | 41 | None | -245 | 5 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | nan | ||
| 5311200 | 2213 | 41 | None | -245 | 5 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | nan | ||
| CHEMBL267014 | 2213 | 41 | None | -245 | 5 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 326 | 3 | 1 | 3 | 3.5 | Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2 | nan | ||
| 2389 | 3279 | 114 | None | -15488 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 3279 | 114 | None | -15488 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 3279 | 114 | None | -15488 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 3279 | 114 | None | -15488 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 3279 | 114 | None | -15488 | 22 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 2402 | 3318 | 58 | None | -1737 | 7 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| 5095 | 3318 | 58 | None | -1737 | 7 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| 7295 | 3318 | 58 | None | -1737 | 7 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| CHEMBL589 | 3318 | 58 | None | -1737 | 7 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| DB00268 | 3318 | 58 | None | -1737 | 7 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | nan | ||
| 258 | 3511 | 25 | None | -128 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 300 | 7 | 1 | 5 | 2.4 | CCN(CCOC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 5191 | 3511 | 25 | None | -128 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 300 | 7 | 1 | 5 | 2.4 | CCN(CCOC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| CHEMBL287045 | 3511 | 25 | None | -128 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 300 | 7 | 1 | 5 | 2.4 | CCN(CCOC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 1935 | 3677 | 92 | None | -120 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 2551 | 3677 | 92 | None | -120 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 6687 | 3677 | 92 | None | -120 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| CHEMBL95 | 3677 | 92 | None | -120 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| DB00382 | 3677 | 92 | None | -120 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | nan | ||
| 1652 | 3839 | 14 | None | -17378 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 3036289 | 3839 | 14 | None | -17378 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| CHEMBL441765 | 3839 | 14 | None | -17378 | 8 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 44330983 | 4354 | 2 | None | -7 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 2 | 1 | 2 | 3.1 | C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | nan | ||
| CHEMBL101510 | 4354 | 2 | None | -7 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 2 | 1 | 2 | 3.1 | C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | nan | ||
| 2227 | 4532 | 16 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 172 | 5 | 6 | 2 | -1.3 | N=C(N)NCCCCNC(=N)N | nan | ||
| CHEMBL102740 | 4532 | 16 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 172 | 5 | 6 | 2 | -1.3 | N=C(N)NCCCCNC(=N)N | nan | ||
| 73333 | 5886 | 23 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 401 | 7 | 1 | 2 | 4.2 | CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | nan | ||
| CHEMBL1079935 | 5886 | 23 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 401 | 7 | 1 | 2 | 4.2 | CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | nan | ||
| 3202 | 9110 | 22 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 166 | 2 | 1 | 1 | 2.0 | CC[N+](C)(C)c1cccc(O)c1 | nan | ||
| CHEMBL1104 | 9110 | 22 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 166 | 2 | 1 | 1 | 2.0 | CC[N+](C)(C)c1cccc(O)c1 | nan | ||
| 19493 | 11151 | 60 | None | -14 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 133 | 1 | 1 | 1 | 1.5 | N[C@@H]1C[C@H]1c1ccccc1 | nan | ||
| CHEMBL1179 | 11151 | 60 | None | -14 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 133 | 1 | 1 | 1 | 1.5 | N[C@@H]1C[C@H]1c1ccccc1 | nan | ||
| CHEMBL1255743 | 11151 | 60 | None | -14 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 133 | 1 | 1 | 1 | 1.5 | N[C@@H]1C[C@H]1c1ccccc1 | nan | ||
| 123981 | 16282 | 20 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | nan | ||
| CHEMBL123349 | 16282 | 20 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | nan | ||
| CHEMBL536803 | 16282 | 20 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | nan | ||
| 5748237 | 16878 | 5 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.6 | C=CCN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 | nan | ||
| CHEMBL1254683 | 16878 | 5 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.6 | C=CCN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 | nan | ||
| CHEMBL2062334 | 16878 | 5 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 283 | 2 | 1 | 2 | 3.6 | C=CCN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 | nan | ||
| 6603824 | 17060 | 3 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 224 | 1 | 1 | 4 | 1.1 | Clc1ccc(N2C[C@@H]3CC[C@H](C2)N3)nn1 | nan | ||
| CHEMBL1256577 | 17060 | 3 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 224 | 1 | 1 | 4 | 1.1 | Clc1ccc(N2C[C@@H]3CC[C@H](C2)N3)nn1 | nan | ||
| 5714 | 22751 | 8 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 359 | 10 | 0 | 5 | 3.4 | COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC | nan | ||
| CHEMBL1329438 | 22751 | 8 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 359 | 10 | 0 | 5 | 3.4 | COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC | nan | ||
| 105066 | 26342 | 15 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 350 | 3 | 0 | 4 | 4.1 | CCOC(=O)C1=C[C@@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@H]32 | nan | ||
| CHEMBL1360725 | 26342 | 15 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 350 | 3 | 0 | 4 | 4.1 | CCOC(=O)C1=C[C@@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@H]32 | nan | ||
| 2457 | 27426 | 13 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 197 | 1 | 1 | 3 | 1.6 | c1ccc2nc(C3=NCCN3)ccc2c1 | nan | ||
| CHEMBL13698 | 27426 | 13 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 197 | 1 | 1 | 3 | 1.6 | c1ccc2nc(C3=NCCN3)ccc2c1 | nan | ||
| 6603788 | 28073 | 1 | None | 3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H](O)[C@H]1O | nan | ||
| CHEMBL1374272 | 28073 | 1 | None | 3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H](O)[C@H]1O | nan | ||
| 6603916 | 30596 | 2 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 355 | 3 | 1 | 5 | 1.8 | COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 | nan | ||
| CHEMBL1396553 | 30596 | 2 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 355 | 3 | 1 | 5 | 1.8 | COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 | nan | ||
| 6604049 | 33027 | 11 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | O=C(NCCNC[C@@H](O)COc1ccc(O)cc1)N1CCOCC1 | nan | ||
| CHEMBL1418227 | 33027 | 11 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | O=C(NCCNC[C@@H](O)COc1ccc(O)cc1)N1CCOCC1 | nan | ||
| 6603880 | 35180 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 266 | 9 | 2 | 2 | 3.6 | CNCCCCCNCCC1C[C@H]2CCC[C@@H](C1)C2 | nan | ||
| CHEMBL1437832 | 35180 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 266 | 9 | 2 | 2 | 3.6 | CNCCCCCNCCC1C[C@H]2CCC[C@@H](C1)C2 | nan | ||
| 6603991 | 36433 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | CO[C@]1(C2=NCCN2)COc2ccccc2O1 | nan | ||
| CHEMBL1448979 | 36433 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 234 | 2 | 1 | 5 | 0.8 | CO[C@]1(C2=NCCN2)COc2ccccc2O1 | nan | ||
| 6603860 | 36596 | 4 | None | -89 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 377 | 8 | 2 | 3 | 3.6 | COc1ccc(CNC(=O)/C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 | nan | ||
| CHEMBL1450245 | 36596 | 4 | None | -89 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 377 | 8 | 2 | 3 | 3.6 | COc1ccc(CNC(=O)/C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1 | nan | ||
| 6604006 | 39517 | 1 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 337 | 1 | 2 | 3 | 4.0 | CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2cccc(Cl)c2)C1 | nan | ||
| CHEMBL1476075 | 39517 | 1 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 337 | 1 | 2 | 3 | 4.0 | CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2cccc(Cl)c2)C1 | nan | ||
| 157132 | 43806 | 2 | None | -446 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 418 | 8 | 1 | 8 | 3.0 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 | nan | ||
| CHEMBL1514440 | 43806 | 2 | None | -446 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 418 | 8 | 1 | 8 | 3.0 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 | nan | ||
| 6603918 | 48947 | 2 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 398 | 6 | 0 | 7 | 2.9 | C#CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C | nan | ||
| CHEMBL1562657 | 48947 | 2 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 398 | 6 | 0 | 7 | 2.9 | C#CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C | nan | ||
| 6604025 | 52204 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 308 | 3 | 2 | 4 | 2.4 | N#C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21 | nan | ||
| CHEMBL1591332 | 52204 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 308 | 3 | 2 | 4 | 2.4 | N#C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21 | nan | ||
| 6604160 | 55673 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@@H](CSC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| CHEMBL1553768 | 55673 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@@H](CSC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| CHEMBL1624111 | 55673 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@@H](CSC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| 199605 | 58430 | 6 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@@H](C)Cc1ccccc1 | nan | ||
| CHEMBL16857 | 58430 | 6 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 187 | 4 | 0 | 1 | 2.2 | C#CCN(C)[C@@H](C)Cc1ccccc1 | nan | ||
| 667684 | 93754 | 11 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 239 | 3 | 1 | 2 | 3.3 | C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 | nan | ||
| CHEMBL249669 | 93754 | 11 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 239 | 3 | 1 | 2 | 3.3 | C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 | nan | ||
| 20189 | 93951 | 25 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 304 | 8 | 2 | 3 | 1.9 | N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O | nan | ||
| 6918991 | 93951 | 25 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 304 | 8 | 2 | 3 | 1.9 | N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O | nan | ||
| CHEMBL250892 | 93951 | 25 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 304 | 8 | 2 | 3 | 1.9 | N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O | nan | ||
| 6603856 | 98275 | 4 | None | -891250 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 413 | 4 | 0 | 4 | 2.9 | COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1 | nan | ||
| CHEMBL277863 | 98275 | 4 | None | -891250 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 413 | 4 | 0 | 4 | 2.9 | COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1 | nan | ||
| 6603729 | 99494 | 2 | None | -7 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 373 | 3 | 2 | 3 | 4.0 | C=CCN1CCc2c(cc(O)c(O)c2Br)[C@H](c2ccccc2)C1 | nan | ||
| CHEMBL286424 | 99494 | 2 | None | -7 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 373 | 3 | 2 | 3 | 4.0 | C=CCN1CCc2c(cc(O)c(O)c2Br)[C@H](c2ccccc2)C1 | nan | ||
| 3311 | 109578 | 19 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 248 | 2 | 2 | 2 | 3.8 | CCSC(=N)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| CHEMBL323542 | 109578 | 19 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 248 | 2 | 2 | 2 | 3.8 | CCSC(=N)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| CHEMBL542855 | 109578 | 19 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 248 | 2 | 2 | 2 | 3.8 | CCSC(=N)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| 3101 | 126655 | 16 | None | -28 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 279 | 0 | 0 | 0 | -0.2 | c1ccc2c(c1)[I+]c1ccccc1-2 | nan | ||
| CHEMBL365739 | 126655 | 16 | None | -28 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 279 | 0 | 0 | 0 | -0.2 | c1ccc2c(c1)[I+]c1ccccc1-2 | nan | ||
| 4350931 | 168747 | 39 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | nan | ||
| CHEMBL441618 | 168747 | 39 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 290 | 0 | 1 | 1 | 3.8 | CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 | nan | ||
| 60663 | 175096 | 37 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | nan | ||
| CHEMBL1421212 | 175096 | 37 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | nan | ||
| CHEMBL1534525 | 175096 | 37 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | nan | ||
| CHEMBL45816 | 175096 | 37 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | nan | ||
| 4943 | 192814 | 100 | None | -3 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
| CHEMBL526 | 192814 | 100 | None | -3 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 178 | 2 | 1 | 1 | 3.6 | CC(C)c1cccc(C(C)C)c1O | nan | ||
| 4212 | 197002 | 75 | None | -42 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL1417019 | 197002 | 75 | None | -42 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL58 | 197002 | 75 | None | -42 | 6 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| 114771 | 197397 | 17 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 387 | 3 | 4 | 5 | 1.8 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccc(Cl)c(Cl)c1 | nan | ||
| CHEMBL587714 | 197397 | 17 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 387 | 3 | 4 | 5 | 1.8 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccc(Cl)c(Cl)c1 | nan | ||
| 2415 | 202808 | 81 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 3.7 | COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL72631 | 202808 | 81 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 3.7 | COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1 | nan | ||
| 65752 | 204318 | 98 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 287 | 0 | 1 | 3 | 3.1 | O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12 | nan | ||
| CHEMBL85139 | 204318 | 98 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 287 | 0 | 1 | 3 | 3.1 | O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12 | nan | ||
| 28767 | 204571 | 29 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 6 | 0 | 2 | 3.3 | C#CCN(C)CCCOc1ccc(Cl)cc1Cl | nan | ||
| 4380 | 204571 | 29 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 6 | 0 | 2 | 3.3 | C#CCN(C)CCCOc1ccc(Cl)cc1Cl | nan | ||
| CHEMBL8706 | 204571 | 29 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 6 | 0 | 2 | 3.3 | C#CCN(C)CCCOc1ccc(Cl)cc1Cl | nan | ||
| 5196 | 205071 | 57 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 75 | 0 | 3 | 2 | -1.5 | NNC(N)=O | nan | ||
| CHEMBL903 | 205071 | 57 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 75 | 0 | 3 | 2 | -1.5 | NNC(N)=O | nan | ||
| 131747 | 205102 | 20 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 211 | 1 | 1 | 3 | 1.7 | NC1CCN(c2cccc(Cl)n2)CC1 | nan | ||
| CHEMBL90472 | 205102 | 20 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 211 | 1 | 1 | 3 | 1.7 | NC1CCN(c2cccc(Cl)n2)CC1 | nan | ||
| 305 | 205371 | 40 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 104 | 2 | 1 | 1 | -0.3 | C[N+](C)(C)CCO | nan | ||
| CHEMBL920 | 205371 | 40 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 104 | 2 | 1 | 1 | -0.3 | C[N+](C)(C)CCO | nan | ||
| 5360696 | 1379 | 27 | None | -1318 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| 6953 | 1379 | 27 | None | -1318 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| 842 | 1379 | 27 | None | -1318 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| CHEMBL52440 | 1379 | 27 | None | -1318 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| DB00514 | 1379 | 27 | None | -1318 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| 1273 | 1724 | 14 | None | -436 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 3450 | 1724 | 14 | None | -436 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 356 | 1724 | 14 | None | -436 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 6172 | 1724 | 14 | None | -436 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 67425 | 1724 | 14 | None | -436 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| CHEMBL360055 | 1724 | 14 | None | -436 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| DB00483 | 1724 | 14 | None | -436 | 4 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 12574 | 2567 | 84 | None | -269 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | nan | ||
| 4810 | 2567 | 84 | None | -269 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | nan | ||
| CHEMBL19236 | 2567 | 84 | None | -269 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | nan | ||
| DB09242 | 2567 | 84 | None | -269 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 241 | 2 | 2 | 6 | 0.8 | CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC | nan | ||
| 255 | 3433 | 13 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 2.8 | O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1 | nan | ||
| 3272300 | 3433 | 13 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 2.8 | O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1 | nan | ||
| CHEMBL1255781 | 3433 | 13 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 272 | 4 | 1 | 3 | 2.8 | O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1 | nan | ||
| 192 | 3446 | 46 | None | -1778 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | nan | ||
| 443390 | 3446 | 46 | None | -1778 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | nan | ||
| CHEMBL14276 | 3446 | 46 | None | -1778 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 431 | 3 | 1 | 3 | 5.5 | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 | nan | ||
| 122187 | 3646 | 14 | None | 3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| 61 | 3646 | 14 | None | 3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| CHEMBL22778 | 3646 | 14 | None | 3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| 523 | 4043 | 90 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | nan | ||
| 5707 | 4043 | 90 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | nan | ||
| CHEMBL297362 | 4043 | 90 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | nan | ||
| DB11477 | 4043 | 90 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | nan | ||
| 5354033 | 4186 | 18 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 380 | 5 | 4 | 8 | 3.1 | N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N | nan | ||
| CHEMBL100473 | 4186 | 18 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 380 | 5 | 4 | 8 | 3.1 | N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N | nan | ||
| 44330983 | 4354 | 2 | None | -7 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 2 | 1 | 2 | 3.1 | C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | nan | ||
| CHEMBL101510 | 4354 | 2 | None | -7 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 257 | 2 | 1 | 2 | 3.1 | C=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | nan | ||
| 73333 | 5886 | 23 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 401 | 7 | 1 | 2 | 4.2 | CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | nan | ||
| CHEMBL1079935 | 5886 | 23 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 401 | 7 | 1 | 2 | 4.2 | CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | nan | ||
| 1711971 | 21602 | 11 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C\c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL1319373 | 21602 | 11 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C\c3ccccc3)CC2)cc1 | nan | ||
| 4564402 | 23107 | 2 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 366 | 10 | 0 | 5 | 4.2 | COc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1 | nan | ||
| CHEMBL1332270 | 23107 | 2 | None | 1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 366 | 10 | 0 | 5 | 4.2 | COc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1 | nan | ||
| 6603854 | 23645 | 1 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 344 | 9 | 5 | 6 | 1.8 | C[C@@H](Cc1ccc(C=O)cc1)NC[C@@H](O)c1ccc(O)c(NCO)c1 | nan | ||
| CHEMBL1336469 | 23645 | 1 | None | -3 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 344 | 9 | 5 | 6 | 1.8 | C[C@@H](Cc1ccc(C=O)cc1)NC[C@@H](O)c1ccc(O)c(NCO)c1 | nan | ||
| 6101692 | 26121 | 3 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 382 | 1 | 0 | 6 | 2.7 | C[N+]1(C)CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 | nan | ||
| CHEMBL1358836 | 26121 | 3 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 382 | 1 | 0 | 6 | 2.7 | C[N+]1(C)CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 | nan | ||
| 100526 | 28445 | 45 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 195 | 3 | 3 | 3 | 0.8 | CC(=O)NCCc1ccc(O)c(O)c1 | nan | ||
| CHEMBL137743 | 28445 | 45 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 195 | 3 | 3 | 3 | 0.8 | CC(=O)NCCc1ccc(O)c(O)c1 | nan | ||
| 6604836 | 30481 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 523 | 7 | 3 | 7 | 5.5 | CNc1ccc2oc(C[C@H]3O[C@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O | nan | ||
| CHEMBL1394992 | 30481 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 523 | 7 | 3 | 7 | 5.5 | CNc1ccc2oc(C[C@H]3O[C@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O | nan | ||
| 6603840 | 34991 | 1 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 522 | 25 | 1 | 6 | 5.2 | CCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC | nan | ||
| CHEMBL1435381 | 34991 | 1 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 522 | 25 | 1 | 6 | 5.2 | CCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC | nan | ||
| 6603835 | 36139 | 1 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 588 | 5 | 3 | 13 | 1.7 | COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@]5(O)C[C@H]3O)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O | nan | ||
| CHEMBL1446601 | 36139 | 1 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 588 | 5 | 3 | 13 | 1.7 | COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@]5(O)C[C@H]3O)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O | nan | ||
| 6604008 | 39377 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21 | nan | ||
| CHEMBL1474110 | 39377 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 416 | 1 | 0 | 5 | 4.9 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21 | nan | ||
| 6604782 | 41633 | 2 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@@H]2CCCO)c(O)c1 | nan | ||
| CHEMBL1493908 | 41633 | 2 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 376 | 10 | 3 | 3 | 5.7 | CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@@H]2CCCO)c(O)c1 | nan | ||
| 6093303 | 41890 | 1 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 | nan | ||
| CHEMBL1496514 | 41890 | 1 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 | nan | ||
| 6603923 | 43679 | 1 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 259 | 3 | 5 | 8 | -2.7 | NC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1O | nan | ||
| CHEMBL1512470 | 43679 | 1 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 259 | 3 | 5 | 8 | -2.7 | NC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1O | nan | ||
| 6603861 | 47836 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 414 | 3 | 2 | 4 | 1.9 | C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1 | nan | ||
| CHEMBL1550935 | 47836 | 2 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 414 | 3 | 2 | 4 | 1.9 | C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1 | nan | ||
| 1628214 | 48039 | 1 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 287 | 4 | 1 | 2 | 4.0 | COc1ccc(NC(=O)/C=C\c2ccc(Cl)cc2)cc1 | nan | ||
| CHEMBL1553718 | 48039 | 1 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 287 | 4 | 1 | 2 | 4.0 | COc1ccc(NC(=O)/C=C\c2ccc(Cl)cc2)cc1 | nan | ||
| 6603948 | 52918 | 15 | None | 5 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 | nan | ||
| CHEMBL1598680 | 52918 | 15 | None | 5 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 | nan | ||
| 6604147 | 55643 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 4.3 | CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)O)CC[C@@]4(C)[C@H]3CC[C@@]12C | nan | ||
| CHEMBL1513685 | 55643 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 4.3 | CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)O)CC[C@@]4(C)[C@H]3CC[C@@]12C | nan | ||
| CHEMBL1623815 | 55643 | 1 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 4.3 | CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)O)CC[C@@]4(C)[C@H]3CC[C@@]12C | nan | ||
| 4712 | 59649 | 102 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 360 | 4 | 1 | 4 | 4.9 | O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | nan | ||
| CHEMBL17331 | 59649 | 102 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 360 | 4 | 1 | 4 | 4.9 | O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | nan | ||
| 5680 | 93867 | 6 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 312 | 6 | 2 | 3 | 2.5 | NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| CHEMBL1526455 | 93867 | 6 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 312 | 6 | 2 | 3 | 2.5 | NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| CHEMBL250517 | 93867 | 6 | None | -1 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 312 | 6 | 2 | 3 | 2.5 | NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| 4306515 | 96863 | 86 | None | -1 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 352 | 3 | 0 | 3 | 5.2 | COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1 | nan | ||
| CHEMBL26915 | 96863 | 86 | None | -1 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 352 | 3 | 0 | 3 | 5.2 | COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1 | nan | ||
| 158614 | 97670 | 3 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 173 | 2 | 3 | 3 | -0.5 | O=C(O)[C@@H]1CCCN[C@H]1C(=O)O | nan | ||
| CHEMBL273541 | 97670 | 3 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 173 | 2 | 3 | 3 | -0.5 | O=C(O)[C@@H]1CCCN[C@H]1C(=O)O | nan | ||
| 6603799 | 99253 | 12 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2 | nan | ||
| CHEMBL284746 | 99253 | 12 | None | -2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2 | nan | ||
| 1967 | 102237 | 43 | None | -2 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 326 | 6 | 1 | 3 | 3.5 | CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O | nan | ||
| CHEMBL304818 | 102237 | 43 | None | -2 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 326 | 6 | 1 | 3 | 3.5 | CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O | nan | ||
| 4210951 | 109248 | 82 | None | -446 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 359 | 4 | 3 | 6 | 2.4 | O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1 | nan | ||
| CHEMBL322970 | 109248 | 82 | None | -446 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 359 | 4 | 3 | 6 | 2.4 | O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1 | nan | ||
| 64393 | 113870 | 3 | None | -8 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 345 | 2 | 1 | 2 | 3.6 | C1CCC(/N=C(\NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1 | nan | ||
| CHEMBL333121 | 113870 | 3 | None | -8 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 345 | 2 | 1 | 2 | 3.6 | C1CCC(/N=C(\NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1 | nan | ||
| CHEMBL541543 | 113870 | 3 | None | -8 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 345 | 2 | 1 | 2 | 3.6 | C1CCC(/N=C(\NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1 | nan | ||
| 2753 | 118845 | 62 | None | -10 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 342 | 6 | 1 | 4 | 3.9 | CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1 | nan | ||
| CHEMBL34431 | 118845 | 62 | None | -10 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 342 | 6 | 1 | 4 | 3.9 | CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1 | nan | ||
| 6603808 | 127000 | 2 | None | -13 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | nan | ||
| CHEMBL214986 | 127000 | 2 | None | -13 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | nan | ||
| CHEMBL36622 | 127000 | 2 | None | -13 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | nan | ||
| CHEMBL3740374 | 127000 | 2 | None | -13 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | nan | ||
| 5681 | 161676 | 14 | None | 1 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 340 | 8 | 2 | 3 | 3.3 | NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| CHEMBL41631 | 161676 | 14 | None | 1 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 340 | 8 | 2 | 3 | 3.3 | NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| CHEMBL513116 | 161676 | 14 | None | 1 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 340 | 8 | 2 | 3 | 3.3 | NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| 5040063 | 168704 | 58 | None | -3 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 386 | 5 | 3 | 5 | 5.3 | CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1 | nan | ||
| CHEMBL441282 | 168704 | 58 | None | -3 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 386 | 5 | 3 | 5 | 5.3 | CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1 | nan | ||
| 73094 | 177909 | 12 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 332 | 9 | 2 | 4 | 1.6 | Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl)cc1 | nan | ||
| CHEMBL466465 | 177909 | 12 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 332 | 9 | 2 | 4 | 1.6 | Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl)cc1 | nan | ||
| 4914 | 195672 | 95 | None | -3 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 236 | 6 | 1 | 4 | 1.8 | CCN(CC)CCOC(=O)c1ccc(N)cc1 | nan | ||
| CHEMBL1200841 | 195672 | 95 | None | -3 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 236 | 6 | 1 | 4 | 1.8 | CCN(CC)CCOC(=O)c1ccc(N)cc1 | nan | ||
| CHEMBL569 | 195672 | 95 | None | -3 | 3 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 236 | 6 | 1 | 4 | 1.8 | CCN(CC)CCOC(=O)c1ccc(N)cc1 | nan | ||
| 5329255 | 202001 | 4 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 448 | 8 | 6 | 8 | 1.6 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 | nan | ||
| CHEMBL67535 | 202001 | 4 | None | -4 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 448 | 8 | 6 | 8 | 1.6 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 | nan | ||
| 2051 | 203577 | 99 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 315 | 4 | 1 | 5 | 4.0 | COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC | nan | ||
| CHEMBL7917 | 203577 | 99 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 315 | 4 | 1 | 5 | 4.0 | COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC | nan | ||
| 667645 | 203703 | 18 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 216 | 2 | 2 | 5 | 1.5 | COc1cc(C=C(C#N)C#N)cc(O)c1O | nan | ||
| CHEMBL80155 | 203703 | 18 | None | - | 1 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 216 | 2 | 2 | 5 | 1.5 | COc1cc(C=C(C#N)C#N)cc(O)c1O | nan | ||
| 131747 | 205102 | 20 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 211 | 1 | 1 | 3 | 1.7 | NC1CCN(c2cccc(Cl)n2)CC1 | nan | ||
| CHEMBL90472 | 205102 | 20 | None | 2 | 2 | Rat | 4.8 | pPotency | = | 4.8 | Functional | ChEMBL | 211 | 1 | 1 | 3 | 1.7 | NC1CCN(c2cccc(Cl)n2)CC1 | nan | ||
| 1224 | 1404 | 79 | None | -239 | 13 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1404 | 79 | None | -239 | 13 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1404 | 79 | None | -239 | 13 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1404 | 79 | None | -239 | 13 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1404 | 79 | None | -239 | 13 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1404 | 79 | None | -239 | 13 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 6603761 | 43651 | 1 | None | - | 1 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 330 | 2 | 0 | 6 | 1.8 | Cn1c(=O)c2c(nc(/C=C\c3cccc(Cl)c3)n2C)n(C)c1=O | nan | ||
| CHEMBL1511958 | 43651 | 1 | None | - | 1 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 330 | 2 | 0 | 6 | 1.8 | Cn1c(=O)c2c(nc(/C=C\c3cccc(Cl)c3)n2C)n(C)c1=O | nan | ||
| 180081 | 99177 | 35 | None | -99 | 3 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 221 | 0 | 1 | 1 | 3.2 | C[C@]12N[C@H](Cc3ccccc31)c1ccccc12 | nan | ||
| CHEMBL284237 | 99177 | 35 | None | -99 | 3 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 221 | 0 | 1 | 1 | 3.2 | C[C@]12N[C@H](Cc3ccccc31)c1ccccc12 | nan | ||
| 688595 | 37459 | 6 | None | -1 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1 | nan | ||
| CHEMBL1457550 | 37459 | 6 | None | -1 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1 | nan | ||
| 126402 | 102411 | 31 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 317 | 5 | 0 | 4 | 2.8 | O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1 | nan | ||
| CHEMBL305881 | 102411 | 31 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 317 | 5 | 0 | 4 | 2.8 | O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1 | nan | ||
| 5311501 | 4019 | 8 | None | -645 | 7 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 4.6 | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 | nan | ||
| 733 | 4019 | 8 | None | -645 | 7 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 4.6 | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 | nan | ||
| CHEMBL188 | 4019 | 8 | None | -645 | 7 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 4.6 | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 | nan | ||
| DB13950 | 4019 | 8 | None | -645 | 7 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 4.6 | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 | nan | ||
| 1809 | 134 | 28 | None | -67608 | 8 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | nan | ||
| 4 | 134 | 28 | None | -67608 | 8 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | nan | ||
| CHEMBL18840 | 134 | 28 | None | -67608 | 8 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 203 | 3 | 3 | 2 | 0.8 | NCCc1c[nH]c2c1cc(cc2)C(=O)N | nan | ||
| 1355 | 1980 | 82 | None | -912 | 6 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | nan | ||
| 142 | 1980 | 82 | None | -912 | 6 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | nan | ||
| CHEMBL478 | 1980 | 82 | None | -912 | 6 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | nan | ||
| DB12110 | 1980 | 82 | None | -912 | 6 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | nan | ||
| 506 | 2221 | 32 | None | -2137 | 6 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | nan | ||
| 6603904 | 2221 | 32 | None | -2137 | 6 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | nan | ||
| CHEMBL19476 | 2221 | 32 | None | -2137 | 6 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | nan | ||
| 1599 | 2309 | 47 | None | -12022 | 13 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 3955 | 2309 | 47 | None | -12022 | 13 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 7215 | 2309 | 47 | None | -12022 | 13 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL841 | 2309 | 47 | None | -12022 | 13 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| DB00836 | 2309 | 47 | None | -12022 | 13 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 133 | 2460 | 48 | None | -44668 | 22 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 2460 | 48 | None | -44668 | 22 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 2460 | 48 | None | -44668 | 22 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 2460 | 48 | None | -44668 | 22 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 2460 | 48 | None | -44668 | 22 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1426 | 2575 | 59 | None | -1348 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 193 | 0 | 0 | 1 | 2.8 | Cc1cccc(n1)C#Cc1ccccc1 | nan | ||
| 3025961 | 2575 | 59 | None | -1348 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 193 | 0 | 0 | 1 | 2.8 | Cc1cccc(n1)C#Cc1ccccc1 | nan | ||
| CHEMBL66654 | 2575 | 59 | None | -1348 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 193 | 0 | 0 | 1 | 2.8 | Cc1cccc(n1)C#Cc1ccccc1 | nan | ||
| 5360697 | 16887 | 16 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 257 | 0 | 1 | 2 | 3.1 | CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 | nan | ||
| CHEMBL1254766 | 16887 | 16 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 257 | 0 | 1 | 2 | 3.1 | CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 | nan | ||
| CHEMBL1426948 | 16887 | 16 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 257 | 0 | 1 | 2 | 3.1 | CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 | nan | ||
| 2497 | 17100 | 3 | None | -281 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 512 | 15 | 2 | 2 | 7.7 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| CHEMBL1257056 | 17100 | 3 | None | -281 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 512 | 15 | 2 | 2 | 7.7 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| CHEMBL1315457 | 17100 | 3 | None | -281 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 512 | 15 | 2 | 2 | 7.7 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| 6604004 | 25864 | 2 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 269 | 1 | 2 | 3 | 2.7 | CN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 | nan | ||
| CHEMBL1355486 | 25864 | 2 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 269 | 1 | 2 | 3 | 2.7 | CN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 | nan | ||
| 688441 | 27120 | 14 | None | -2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 | nan | ||
| CHEMBL1367478 | 27120 | 14 | None | -2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 | nan | ||
| 66374 | 27448 | 17 | None | 4 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 204 | 1 | 0 | 3 | 2.1 | c1ccc([C@@H]2CN3CCSC3=N2)cc1 | nan | ||
| CHEMBL1369896 | 27448 | 17 | None | 4 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 204 | 1 | 0 | 3 | 2.1 | c1ccc([C@@H]2CN3CCSC3=N2)cc1 | nan | ||
| 6604003 | 32861 | 3 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 317 | 1 | 2 | 3 | 3.7 | Cc1cccc([C@@H]2CN(C)CCc3c2cc(O)c(O)c3Cl)c1 | nan | ||
| CHEMBL1416789 | 32861 | 3 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 317 | 1 | 2 | 3 | 3.7 | Cc1cccc([C@@H]2CN(C)CCc3c2cc(O)c(O)c3Cl)c1 | nan | ||
| 6603899 | 41603 | 9 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 246 | 4 | 1 | 2 | 2.8 | C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 | nan | ||
| CHEMBL1493579 | 41603 | 9 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 246 | 4 | 1 | 2 | 2.8 | C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 | nan | ||
| 222786 | 42171 | 54 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 360 | 2 | 2 | 5 | 2.0 | C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| CHEMBL1499 | 42171 | 54 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 360 | 2 | 2 | 5 | 2.0 | C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| 146015336 | 53067 | 107 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| 1775 | 53067 | 107 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL16 | 53067 | 107 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1611 | 53067 | 107 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 2.0 | O=C1N=C(O)NC1(c1ccccc1)c1ccccc1 | nan | ||
| 6604084 | 54811 | 3 | None | 2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 471 | 9 | 2 | 12 | -0.7 | CO[C@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21 | nan | ||
| CHEMBL1370376 | 54811 | 3 | None | 2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 471 | 9 | 2 | 12 | -0.7 | CO[C@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21 | nan | ||
| CHEMBL1616820 | 54811 | 3 | None | 2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 471 | 9 | 2 | 12 | -0.7 | CO[C@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21 | nan | ||
| 6604112 | 55644 | 1 | None | -3 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 462 | 6 | 3 | 7 | 2.2 | C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O | nan | ||
| CHEMBL1512111 | 55644 | 1 | None | -3 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 462 | 6 | 3 | 7 | 2.2 | C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O | nan | ||
| CHEMBL1623839 | 55644 | 1 | None | -3 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 462 | 6 | 3 | 7 | 2.2 | C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O | nan | ||
| 73346610 | 92823 | 0 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 548 | 8 | 2 | 8 | 4.1 | CN1CCC[C@@H]1c1cccnc1.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1 | nan | ||
| CHEMBL2448607 | 92823 | 0 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 548 | 8 | 2 | 8 | 4.1 | CN1CCC[C@@H]1c1cccnc1.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1 | nan | ||
| 5013 | 99773 | 28 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2ccc3ccccc3n2)CC1 | nan | ||
| CHEMBL288591 | 99773 | 28 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2ccc3ccccc3n2)CC1 | nan | ||
| 5458656 | 120118 | 3 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(\c1ccc(Br)cc1)c1cccnc1 | nan | ||
| CHEMBL354646 | 120118 | 3 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 316 | 4 | 0 | 2 | 3.8 | CN(C)C/C=C(\c1ccc(Br)cc1)c1cccnc1 | nan | ||
| 108137 | 179887 | 52 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 277 | 4 | 0 | 4 | 3.3 | Cc1nc2c(OCc3ccccc3)cccn2c1CC#N | nan | ||
| CHEMBL47529 | 179887 | 52 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 277 | 4 | 0 | 4 | 3.3 | Cc1nc2c(OCc3ccccc3)cccn2c1CC#N | nan | ||
| 3676 | 203559 | 98 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 234 | 5 | 1 | 2 | 2.6 | CCN(CC)CC(=O)Nc1c(C)cccc1C | nan | ||
| CHEMBL79 | 203559 | 98 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 234 | 5 | 1 | 2 | 2.6 | CCN(CC)CC(=O)Nc1c(C)cccc1C | nan | ||
| 3038495 | 700 | 30 | None | -30902 | 7 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | nan | ||
| 7625 | 700 | 30 | None | -30902 | 7 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | nan | ||
| CHEMBL25236 | 700 | 30 | None | -30902 | 7 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 417 | 8 | 1 | 4 | 4.2 | COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2 | nan | ||
| 2803 | 941 | 53 | None | -5370 | 11 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 516 | 941 | 53 | None | -5370 | 11 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 704 | 941 | 53 | None | -5370 | 11 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| CHEMBL134 | 941 | 53 | None | -5370 | 11 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| DB00575 | 941 | 53 | None | -5370 | 11 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 122 | 1409 | 9 | None | -1412 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | nan | ||
| 156314 | 1409 | 9 | None | -1412 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | nan | ||
| CHEMBL1332062 | 1409 | 9 | None | -1412 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 287 | 8 | 2 | 2 | 2.9 | CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N | nan | ||
| 1605 | 2310 | 110 | None | -20 | 5 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 3957 | 2310 | 110 | None | -20 | 5 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 7216 | 2310 | 110 | None | -20 | 5 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| CHEMBL998 | 2310 | 110 | None | -20 | 5 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| DB00455 | 2310 | 110 | None | -20 | 5 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | nan | ||
| 4127 | 2328 | 113 | None | 1348 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| 5951 | 2328 | 113 | None | 1348 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| 6857581 | 2328 | 113 | None | 1348 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| 726 | 2328 | 113 | None | 1348 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| CHEMBL11298 | 2328 | 113 | None | 1348 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| DB00133 | 2328 | 113 | None | 1348 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 105 | 2 | 3 | 3 | -1.6 | OC[C@@H](C(=O)O)N | nan | ||
| 209 | 3008 | 94 | None | -48977 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 2113 | 3008 | 94 | None | -48977 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4748 | 3008 | 94 | None | -48977 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL567 | 3008 | 94 | None | -48977 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00850 | 3008 | 94 | None | -48977 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 1267 | 3744 | 43 | None | -1513 | 5 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | nan | ||
| 3035905 | 3744 | 43 | None | -1513 | 5 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | nan | ||
| CHEMBL260374 | 3744 | 43 | None | -1513 | 5 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | nan | ||
| 3251 | 4009 | 50 | None | -13182 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | nan | ||
| 5684 | 4009 | 50 | None | -13182 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | nan | ||
| 80 | 4009 | 50 | None | -13182 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | nan | ||
| CHEMBL31354 | 4009 | 50 | None | -13182 | 4 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | nan | ||
| 1548968 | 10437 | 18 | None | -2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| CHEMBL1169388 | 10437 | 18 | None | -2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| 6603767 | 14352 | 6 | None | 37 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 352 | 4 | 0 | 2 | 5.4 | CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 | nan | ||
| CHEMBL1201842 | 14352 | 6 | None | 37 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 352 | 4 | 0 | 2 | 5.4 | CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 | nan | ||
| 5353685 | 17093 | 19 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 437 | 4 | 3 | 6 | 3.2 | COc1cc(/C=C(\C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O | nan | ||
| CHEMBL1257003 | 17093 | 19 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 437 | 4 | 3 | 6 | 3.2 | COc1cc(/C=C(\C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O | nan | ||
| 6604019 | 21231 | 1 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(CC)C(=O)N[C@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 | nan | ||
| CHEMBL1315160 | 21231 | 1 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 340 | 3 | 2 | 2 | 2.9 | CCN(CC)C(=O)N[C@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 | nan | ||
| 6604006 | 39517 | 1 | None | -3 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 337 | 1 | 2 | 3 | 4.0 | CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2cccc(Cl)c2)C1 | nan | ||
| CHEMBL1476075 | 39517 | 1 | None | -3 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 337 | 1 | 2 | 3 | 4.0 | CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2cccc(Cl)c2)C1 | nan | ||
| 6603966 | 52328 | 1 | None | -3 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 334 | 2 | 2 | 3 | 3.6 | C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)CO | nan | ||
| CHEMBL1592939 | 52328 | 1 | None | -3 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 334 | 2 | 2 | 3 | 3.6 | C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)CO | nan | ||
| 6914274 | 55142 | 1 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 212 | 3 | 2 | 2 | 2.0 | O=C(O)/C=C\[C@H](O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1400241 | 55142 | 1 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 212 | 3 | 2 | 2 | 2.0 | O=C(O)/C=C\[C@H](O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1619663 | 55142 | 1 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 212 | 3 | 2 | 2 | 2.0 | O=C(O)/C=C\[C@H](O)c1ccc(Cl)cc1 | nan | ||
| 6604172 | 55270 | 1 | None | -4 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 424 | 4 | 0 | 3 | 4.6 | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 | nan | ||
| CHEMBL1433907 | 55270 | 1 | None | -4 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 424 | 4 | 0 | 3 | 4.6 | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 | nan | ||
| CHEMBL1620729 | 55270 | 1 | None | -4 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 424 | 4 | 0 | 3 | 4.6 | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 | nan | ||
| 6604096 | 55651 | 0 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| CHEMBL1514911 | 55651 | 0 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| CHEMBL1623887 | 55651 | 0 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| 6603985 | 65837 | 2 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 335 | 8 | 1 | 3 | 5.4 | CCCCC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 | nan | ||
| CHEMBL18428 | 65837 | 2 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 335 | 8 | 1 | 3 | 5.4 | CCCCC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 | nan | ||
| 667684 | 93754 | 11 | None | 2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 239 | 3 | 1 | 2 | 3.3 | C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 | nan | ||
| CHEMBL249669 | 93754 | 11 | None | 2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 239 | 3 | 1 | 2 | 3.3 | C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 | nan | ||
| 636806 | 94533 | 28 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl | nan | ||
| CHEMBL254609 | 94533 | 28 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl | nan | ||
| 161713 | 98334 | 70 | None | -33 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 250 | 4 | 0 | 6 | 0.7 | CCCn1c(=O)c2c(ncn2C)n(CCC)c1=O | nan | ||
| CHEMBL278332 | 98334 | 70 | None | -33 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 250 | 4 | 0 | 6 | 0.7 | CCCn1c(=O)c2c(ncn2C)n(CCC)c1=O | nan | ||
| 5013 | 99773 | 28 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2ccc3ccccc3n2)CC1 | nan | ||
| CHEMBL288591 | 99773 | 28 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 227 | 1 | 0 | 3 | 2.0 | CN1CCN(c2ccc3ccccc3n2)CC1 | nan | ||
| 5280343 | 187691 | 119 | None | -50 | 7 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | nan | ||
| CHEMBL1520590 | 187691 | 119 | None | -50 | 7 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | nan | ||
| CHEMBL50 | 187691 | 119 | None | -50 | 7 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | nan | ||
| 5236783 | 193075 | 6 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 301 | 5 | 0 | 3 | 3.2 | O=C(Cc1ccc(Cl)c(Cl)c1)OCCN1CCCC1 | nan | ||
| CHEMBL53649 | 193075 | 6 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 301 | 5 | 0 | 3 | 3.2 | O=C(Cc1ccc(Cl)c(Cl)c1)OCCN1CCCC1 | nan | ||
| 785 | 193083 | 98 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 110 | 0 | 2 | 2 | 1.1 | Oc1ccc(O)cc1 | nan | ||
| CHEMBL537 | 193083 | 98 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 110 | 0 | 2 | 2 | 1.1 | Oc1ccc(O)cc1 | nan | ||
| 5328771 | 195382 | 59 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 280 | 3 | 3 | 4 | 2.6 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1 | nan | ||
| CHEMBL56731 | 195382 | 59 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 280 | 3 | 3 | 4 | 2.6 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1 | nan | ||
| 2720 | 204218 | 80 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 295 | 1 | 2 | 5 | -0.1 | NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O | nan | ||
| CHEMBL842 | 204218 | 80 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 295 | 1 | 2 | 5 | -0.1 | NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O | nan | ||
| 3036746 | 206209 | 10 | None | -151 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12 | nan | ||
| CHEMBL97 | 206209 | 10 | None | -151 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 324 | 4 | 1 | 4 | 3.2 | C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12 | nan | ||
| 5546 | 197278 | 102 | None | 575 | 2 | Rat | 8.7 | pPotency | = | 8.7 | Functional | ChEMBL | 253 | 1 | 3 | 7 | 0.8 | Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1 | nan | ||
| CHEMBL585 | 197278 | 102 | None | 575 | 2 | Rat | 8.7 | pPotency | = | 8.7 | Functional | ChEMBL | 253 | 1 | 3 | 7 | 0.8 | Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1 | nan | ||
| 1550101 | 34839 | 3 | None | - | 1 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1433395 | 34839 | 3 | None | - | 1 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1515314 | 34839 | 3 | None | - | 1 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| 1346 | 160 | 42 | None | - | 1 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.5 | COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl | nan | ||
| 1858 | 160 | 42 | None | - | 1 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.5 | COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl | nan | ||
| CHEMBL34730 | 160 | 42 | None | - | 1 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.5 | COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl | nan | ||
| 1201549 | 590 | 22 | None | -9 | 20 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | -9 | 20 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | -9 | 20 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | -9 | 20 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | -9 | 20 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | -9 | 20 | Rat | 8.6 | pPotency | = | 8.6 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 411 | 2555 | 86 | None | 144 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | nan | ||
| 5281670 | 2555 | 86 | None | 144 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | nan | ||
| CHEMBL28626 | 2555 | 86 | None | 144 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O | nan | ||
| 6603763 | 32675 | 2 | None | 2238 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 | nan | ||
| CHEMBL1415133 | 32675 | 2 | None | 2238 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 | nan | ||
| 6603995 | 40481 | 3 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 205 | 1 | 1 | 6 | 0.7 | Nc1ncnc2c1ncn2[C@@H]1CCCO1 | nan | ||
| CHEMBL1484751 | 40481 | 3 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 205 | 1 | 1 | 6 | 0.7 | Nc1ncnc2c1ncn2[C@@H]1CCCO1 | nan | ||
| 136722811 | 54679 | 5 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 1328 | 18 | 14 | 21 | 2.3 | O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1 | nan | ||
| 4470 | 54679 | 5 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 1328 | 18 | 14 | 21 | 2.3 | O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1 | nan | ||
| CHEMBL1253351 | 54679 | 5 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 1328 | 18 | 14 | 21 | 2.3 | O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1 | nan | ||
| CHEMBL1615557 | 54679 | 5 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 1328 | 18 | 14 | 21 | 2.3 | O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1 | nan | ||
| 6603973 | 89107 | 0 | None | 63 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 616 | 15 | 3 | 8 | 5.8 | CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@@]12OC(C)=O | nan | ||
| CHEMBL2373633 | 89107 | 0 | None | 63 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 616 | 15 | 3 | 8 | 5.8 | CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@@]12OC(C)=O | nan | ||
| 433294 | 202321 | 63 | None | 1584 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 42 | 0 | 0 | 0 | -6.0 | [Cl-].[Li+] | nan | ||
| CHEMBL69710 | 202321 | 63 | None | 1584 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 42 | 0 | 0 | 0 | -6.0 | [Cl-].[Li+] | nan | ||
| 5614 | 203446 | 80 | None | 4 | 3 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 282 | 1 | 1 | 3 | 4.4 | CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O | nan | ||
| CHEMBL78150 | 203446 | 80 | None | 4 | 3 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 282 | 1 | 1 | 3 | 4.4 | CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O | nan | ||
| 277 | 1274 | 55 | None | -26 | 25 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1274 | 55 | None | -26 | 25 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1274 | 55 | None | -26 | 25 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1274 | 55 | None | -26 | 25 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1274 | 55 | None | -26 | 25 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 5335 | 9196 | 81 | None | 141 | 3 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 314 | 4 | 2 | 5 | 2.3 | Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 | nan | ||
| CHEMBL1109 | 9196 | 81 | None | 141 | 3 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 314 | 4 | 2 | 5 | 2.3 | Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 | nan | ||
| 185376 | 38800 | 27 | None | 5 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OC[C@H](C)N | nan | ||
| CHEMBL146855 | 38800 | 27 | None | 5 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 179 | 3 | 1 | 2 | 2.0 | Cc1cccc(C)c1OC[C@H](C)N | nan | ||
| 6604086 | 55261 | 2 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 455 | 7 | 3 | 11 | -0.6 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1 | nan | ||
| CHEMBL1437244 | 55261 | 2 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 455 | 7 | 3 | 11 | -0.6 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1 | nan | ||
| CHEMBL1620635 | 55261 | 2 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 455 | 7 | 3 | 11 | -0.6 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1 | nan | ||
| 3538 | 97872 | 42 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 293 | 1 | 1 | 5 | 2.8 | CC1=NN=C(c2ccc(N)cc2)c2cc3c(cc2C1)OCO3 | nan | ||
| CHEMBL275006 | 97872 | 42 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 293 | 1 | 1 | 5 | 2.8 | CC1=NN=C(c2ccc(N)cc2)c2cc3c(cc2C1)OCO3 | nan | ||
| 194156 | 104249 | 34 | None | 223 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 215 | 4 | 2 | 3 | -0.1 | O=C(O)CCC(=O)N1CCC[C@H]1C(=O)O | nan | ||
| CHEMBL310578 | 104249 | 34 | None | 223 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 215 | 4 | 2 | 3 | -0.1 | O=C(O)CCC(=O)N1CCC[C@H]1C(=O)O | nan | ||
| 4289 | 116409 | 26 | None | 281 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 198 | 3 | 2 | 2 | 1.0 | NCCNC(=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL338404 | 116409 | 26 | None | 281 | 2 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 198 | 3 | 2 | 2 | 1.0 | NCCNC(=O)c1ccc(Cl)cc1 | nan | ||
| 3136 | 154655 | 57 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 218 | 2 | 0 | 4 | 1.6 | COC1=C(OC)C(=O)c2ccccc2C1=O | nan | ||
| CHEMBL402468 | 154655 | 57 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 218 | 2 | 0 | 4 | 1.6 | COC1=C(OC)C(=O)c2ccccc2C1=O | nan | ||
| 443758 | 205455 | 8 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 304 | 1 | 5 | 7 | 1.2 | O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O | nan | ||
| CHEMBL9249 | 205455 | 8 | None | - | 1 | Rat | 7.7 | pPotency | = | 7.7 | Functional | ChEMBL | 304 | 1 | 5 | 7 | 1.2 | O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O | nan | ||
| 6604153 | 21268 | 1 | None | - | 1 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 602 | 2 | 3 | 13 | -0.9 | C=C(C)[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C.CC(C)(O)[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C | nan | ||
| CHEMBL1315538 | 21268 | 1 | None | - | 1 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 602 | 2 | 3 | 13 | -0.9 | C=C(C)[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C.CC(C)(O)[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C | nan | ||
| 6603961 | 43824 | 1 | None | - | 1 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 335 | 6 | 4 | 3 | 2.0 | N[C@H](Cc1cccc(-c2ccccc2CP(=O)(O)O)c1)C(=O)O | nan | ||
| CHEMBL1514670 | 43824 | 1 | None | - | 1 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 335 | 6 | 4 | 3 | 2.0 | N[C@H](Cc1cccc(-c2ccccc2CP(=O)(O)O)c1)C(=O)O | nan | ||
| 3651377 | 100022 | 59 | None | 17 | 3 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 471 | 7 | 1 | 3 | 8.0 | CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1 | nan | ||
| CHEMBL29097 | 100022 | 59 | None | 17 | 3 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 471 | 7 | 1 | 3 | 8.0 | CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1 | nan | ||
| CHEMBL416657 | 100022 | 59 | None | 17 | 3 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 471 | 7 | 1 | 3 | 8.0 | CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1 | nan | ||
| 180 | 397 | 50 | None | -354 | 26 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -354 | 26 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -354 | 26 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -354 | 26 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -354 | 26 | Rat | 6.7 | pPotency | = | 6.7 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2 | 3210 | 19 | None | -602 | 7 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | nan | ||
| 54562 | 3210 | 19 | None | -602 | 7 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | nan | ||
| CHEMBL240773 | 3210 | 19 | None | -602 | 7 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | nan | ||
| 132787 | 3375 | 38 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 336 | 2 | 0 | 4 | 2.7 | C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2 | nan | ||
| 26 | 3375 | 38 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 336 | 2 | 0 | 4 | 2.7 | C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2 | nan | ||
| 32 | 3375 | 38 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 336 | 2 | 0 | 4 | 2.7 | C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2 | nan | ||
| CHEMBL49247 | 3375 | 38 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 336 | 2 | 0 | 4 | 2.7 | C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2 | nan | ||
| 6603882 | 22878 | 3 | None | -70 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 277 | 2 | 1 | 4 | 0.8 | O=S(=O)(c1cccc2ncccc12)N1CCNCC1 | nan | ||
| CHEMBL1330500 | 22878 | 3 | None | -70 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 277 | 2 | 1 | 4 | 0.8 | O=S(=O)(c1cccc2ncccc12)N1CCNCC1 | nan | ||
| 6603813 | 39478 | 1 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | O=C(CCCN1C=C[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL1475507 | 39478 | 1 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 379 | 6 | 1 | 4 | 3.9 | O=C(CCCN1C=C[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 827422 | 39539 | 17 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 213 | 3 | 1 | 3 | 1.4 | COC(=O)[C@H](N)Cc1ccc(Cl)cc1 | nan | ||
| CHEMBL1476412 | 39539 | 17 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 213 | 3 | 1 | 3 | 1.4 | COC(=O)[C@H](N)Cc1ccc(Cl)cc1 | nan | ||
| 4011 | 81996 | 43 | None | -363 | 23 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81996 | 43 | None | -363 | 23 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 969502 | 97660 | 3 | None | -4 | 3 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | nan | ||
| CHEMBL1314789 | 97660 | 3 | None | -4 | 3 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | nan | ||
| CHEMBL273490 | 97660 | 3 | None | -4 | 3 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | nan | ||
| 126280 | 118262 | 9 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 291 | 2 | 1 | 1 | 4.8 | CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL341898 | 118262 | 9 | None | - | 1 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 291 | 2 | 1 | 1 | 4.8 | CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 2284 | 3133 | 27 | None | -194 | 25 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3133 | 27 | None | -194 | 25 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3133 | 27 | None | -194 | 25 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3133 | 27 | None | -194 | 25 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3133 | 27 | None | -194 | 25 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 3172 | 23456 | 27 | None | 3 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 275 | 5 | 0 | 1 | 3.5 | CCN(CCCl)Cc1ccccc1Br | nan | ||
| CHEMBL1334976 | 23456 | 27 | None | 3 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 275 | 5 | 0 | 1 | 3.5 | CCN(CCCl)Cc1ccccc1Br | nan | ||
| 6603943 | 36850 | 1 | None | 1 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 661 | 4 | 5 | 8 | 3.8 | Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@]1(O)[C@@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4 | nan | ||
| CHEMBL1452273 | 36850 | 1 | None | 1 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 661 | 4 | 5 | 8 | 3.8 | Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@]1(O)[C@@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4 | nan | ||
| 2244 | 93798 | 96 | None | -44 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | nan | ||
| CHEMBL25 | 93798 | 96 | None | -44 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | nan | ||
| 10091491 | 102909 | 2 | None | 16 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | nan | ||
| CHEMBL3084652 | 102909 | 2 | None | 16 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | nan | ||
| CHEMBL3216928 | 102909 | 2 | None | 16 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | nan | ||
| 2993 | 114194 | 23 | None | 3 | 3 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| CHEMBL121663 | 114194 | 23 | None | 3 | 3 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| CHEMBL333826 | 114194 | 23 | None | 3 | 3 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 456 | 11 | 2 | 2 | 6.2 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| 286 | 119251 | 54 | None | 14 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 91 | 2 | 2 | 3 | -1.0 | NOCC(=O)O | nan | ||
| CHEMBL347862 | 119251 | 54 | None | 14 | 2 | Rat | 5.7 | pPotency | = | 5.7 | Functional | ChEMBL | 91 | 2 | 2 | 3 | -1.0 | NOCC(=O)O | nan | ||
| 664577 | 31191 | 6 | None | -1 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 325 | 3 | 0 | 6 | 3.2 | CCOC(=O)C1CCCN(c2ncnc3c2oc2ccccc23)C1 | nan | ||
| CHEMBL1378255 | 31191 | 6 | None | -1 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 325 | 3 | 0 | 6 | 3.2 | CCOC(=O)C1CCCN(c2ncnc3c2oc2ccccc23)C1 | nan | ||
| CHEMBL1402515 | 31191 | 6 | None | -1 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 325 | 3 | 0 | 6 | 3.2 | CCOC(=O)C1CCCN(c2ncnc3c2oc2ccccc23)C1 | nan | ||
| 1190554 | 42677 | 12 | None | -3 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 391 | 5 | 1 | 6 | 4.3 | CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N2CCOCC2)cc1 | nan | ||
| CHEMBL1503392 | 42677 | 12 | None | -3 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 391 | 5 | 1 | 6 | 4.3 | CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N2CCOCC2)cc1 | nan | ||
| 1329 | 1444 | 78 | None | -16982 | 8 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | nan | ||
| 386 | 1444 | 78 | None | -16982 | 8 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | nan | ||
| CHEMBL183 | 1444 | 78 | None | -16982 | 8 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | nan | ||
| DB12946 | 1444 | 78 | None | -16982 | 8 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | nan | ||
| 213 | 3792 | 50 | None | -2344 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 2717 | 3792 | 50 | None | -2344 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 5533 | 3792 | 50 | None | -2344 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| CHEMBL621 | 3792 | 50 | None | -2344 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| DB00656 | 3792 | 50 | None | -2344 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | ||
| 1701 | 8665 | 29 | None | -14 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 203 | 3 | 1 | 3 | 0.8 | NCCc1ccc(S(=O)(=O)F)cc1 | nan | ||
| CHEMBL1096339 | 8665 | 29 | None | -14 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 203 | 3 | 1 | 3 | 0.8 | NCCc1ccc(S(=O)(=O)F)cc1 | nan | ||
| 6604067 | 23335 | 2 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1 | nan | ||
| CHEMBL1333970 | 23335 | 2 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1 | nan | ||
| CHEMBL1571758 | 23335 | 2 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1 | nan | ||
| 39214 | 27106 | 36 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 272 | 5 | 2 | 6 | 0.8 | Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 | nan | ||
| CHEMBL136737 | 27106 | 36 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 272 | 5 | 2 | 6 | 0.8 | Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 | nan | ||
| 5327151 | 45751 | 2 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 385 | 5 | 3 | 7 | 3.9 | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21 | nan | ||
| CHEMBL1532768 | 45751 | 2 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 385 | 5 | 3 | 7 | 3.9 | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21 | nan | ||
| 6604036 | 48025 | 1 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 356 | 4 | 0 | 3 | 3.3 | CN(C(=O)Cc1ccccc1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 | nan | ||
| CHEMBL1553428 | 48025 | 1 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 356 | 4 | 0 | 3 | 3.3 | CN(C(=O)Cc1ccccc1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 | nan | ||
| 6604172 | 55270 | 1 | None | -4 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 424 | 4 | 0 | 3 | 4.6 | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 | nan | ||
| CHEMBL1433907 | 55270 | 1 | None | -4 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 424 | 4 | 0 | 3 | 4.6 | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 | nan | ||
| CHEMBL1620729 | 55270 | 1 | None | -4 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 424 | 4 | 0 | 3 | 4.6 | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 | nan | ||
| 55216 | 102697 | 4 | None | -7 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 346 | 5 | 2 | 4 | 2.9 | CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC | nan | ||
| CHEMBL2062333 | 102697 | 4 | None | -7 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 346 | 5 | 2 | 4 | 2.9 | CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC | nan | ||
| CHEMBL308129 | 102697 | 4 | None | -7 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 346 | 5 | 2 | 4 | 2.9 | CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC | nan | ||
| 3488 | 178557 | 109 | None | -177 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 493 | 8 | 3 | 5 | 3.6 | COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | nan | ||
| CHEMBL472 | 178557 | 109 | None | -177 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 493 | 8 | 3 | 5 | 3.6 | COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | nan | ||
| 5522 | 204250 | 27 | None | -1 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 304 | 7 | 1 | 6 | 3.1 | CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC | nan | ||
| CHEMBL84567 | 204250 | 27 | None | -1 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 304 | 7 | 1 | 6 | 3.1 | CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC | nan | ||
| 5 | 139 | 66 | None | -2818 | 27 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | nan | ||
| 5202 | 139 | 66 | None | -2818 | 27 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | nan | ||
| CHEMBL39 | 139 | 66 | None | -2818 | 27 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | nan | ||
| DB08839 | 139 | 66 | None | -2818 | 27 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | nan | ||
| 2477 | 734 | 54 | None | -870 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 36 | 734 | 54 | None | -870 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 437 | 734 | 54 | None | -870 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| CHEMBL49 | 734 | 54 | None | -870 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| DB00490 | 734 | 54 | None | -870 | 17 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | ||
| 123981 | 16282 | 20 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | nan | ||
| CHEMBL123349 | 16282 | 20 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | nan | ||
| CHEMBL536803 | 16282 | 20 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | nan | ||
| 1725 | 16626 | 48 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 135 | 1 | 3 | 2 | 0.6 | N=C(N)c1ccc(N)cc1 | nan | ||
| CHEMBL124632 | 16626 | 48 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 135 | 1 | 3 | 2 | 0.6 | N=C(N)c1ccc(N)cc1 | nan | ||
| 184820 | 21985 | 31 | None | 7 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 | nan | ||
| CHEMBL1256654 | 21985 | 31 | None | 7 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 | nan | ||
| CHEMBL1322675 | 21985 | 31 | None | 7 | 3 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 | nan | ||
| 6603880 | 35180 | 1 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 266 | 9 | 2 | 2 | 3.6 | CNCCCCCNCCC1C[C@H]2CCC[C@@H](C1)C2 | nan | ||
| CHEMBL1437832 | 35180 | 1 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 266 | 9 | 2 | 2 | 3.6 | CNCCCCCNCCC1C[C@H]2CCC[C@@H](C1)C2 | nan | ||
| 5567 | 42556 | 24 | None | 2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 409 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL15023 | 42556 | 24 | None | 2 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 409 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 | nan | ||
| 5280569 | 92837 | 107 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 178 | 0 | 2 | 4 | 1.2 | O=c1ccc2ccc(O)c(O)c2o1 | nan | ||
| CHEMBL244948 | 92837 | 107 | None | 1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 178 | 0 | 2 | 4 | 1.2 | O=c1ccc2ccc(O)c(O)c2o1 | nan | ||
| 3344 | 196641 | 51 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 260 | 3 | 1 | 3 | 1.8 | O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 | nan | ||
| CHEMBL576127 | 196641 | 51 | None | -1 | 2 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 260 | 3 | 1 | 3 | 1.8 | O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 | nan | ||
| 3676 | 203559 | 98 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 234 | 5 | 1 | 2 | 2.6 | CCN(CC)CC(=O)Nc1c(C)cccc1C | nan | ||
| CHEMBL79 | 203559 | 98 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 234 | 5 | 1 | 2 | 2.6 | CCN(CC)CC(=O)Nc1c(C)cccc1C | nan | ||
| 135342 | 204255 | 52 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 197 | 5 | 4 | 3 | -0.6 | N[C@H](CCCP(=O)(O)O)C(=O)O | nan | ||
| CHEMBL84612 | 204255 | 52 | None | - | 1 | Rat | 4.7 | pPotency | = | 4.7 | Functional | ChEMBL | 197 | 5 | 4 | 3 | -0.6 | N[C@H](CCCP(=O)(O)O)C(=O)O | nan | ||
| 160453 | 17017 | 52 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 277 | 5 | 2 | 4 | 0.6 | O=C(O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O | nan | ||
| CHEMBL1256390 | 17017 | 52 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 277 | 5 | 2 | 4 | 0.6 | O=C(O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O | nan | ||
| 207843 | 25971 | 6 | None | 501 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | O[C@@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1 | nan | ||
| CHEMBL1356870 | 25971 | 6 | None | 501 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | O[C@@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1 | nan | ||
| 6604114 | 55404 | 2 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 264 | 5 | 3 | 6 | -0.1 | COc1cc([C@@H](O)CO)ccc1OS(=O)(=O)O | nan | ||
| CHEMBL1444706 | 55404 | 2 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 264 | 5 | 3 | 6 | -0.1 | COc1cc([C@@H](O)CO)ccc1OS(=O)(=O)O | nan | ||
| CHEMBL1621912 | 55404 | 2 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 264 | 5 | 3 | 6 | -0.1 | COc1cc([C@@H](O)CO)ccc1OS(=O)(=O)O | nan | ||
| 650 | 126710 | 68 | None | 446 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 86 | 1 | 0 | 2 | 0.2 | CC(=O)C(C)=O | nan | ||
| CHEMBL365809 | 126710 | 68 | None | 446 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 86 | 1 | 0 | 2 | 0.2 | CC(=O)C(C)=O | nan | ||
| 207843 | 25971 | 6 | None | 501 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | O[C@@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1 | nan | ||
| CHEMBL1356870 | 25971 | 6 | None | 501 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | O[C@@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1 | nan | ||
| 5754 | 142659 | 77 | None | - | 1 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 362 | 2 | 3 | 5 | 1.8 | C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| CHEMBL389621 | 142659 | 77 | None | - | 1 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 362 | 2 | 3 | 5 | 1.8 | C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| 5420 | 187041 | 27 | None | - | 1 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 342 | 10 | 4 | 3 | 3.2 | CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C | nan | ||
| CHEMBL494887 | 187041 | 27 | None | - | 1 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 342 | 10 | 4 | 3 | 3.2 | CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C | nan | ||
| 3952 | 1857 | 33 | None | -61 | 14 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5353646 | 1857 | 33 | None | -61 | 14 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5443 | 1857 | 33 | None | -61 | 14 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 5702063 | 1857 | 33 | None | -61 | 14 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL1331786 | 1857 | 33 | None | -61 | 14 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| CHEMBL420 | 1857 | 33 | None | -61 | 14 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | ||
| 1433 | 5346 | 29 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 177 | 3 | 3 | 2 | 1.2 | CC(=N)NCc1cccc(CN)c1 | nan | ||
| CHEMBL107251 | 5346 | 29 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 177 | 3 | 3 | 2 | 1.2 | CC(=N)NCc1cccc(CN)c1 | nan | ||
| 716126 | 44637 | 3 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 200 | 1 | 1 | 2 | 2.1 | c1ccc2c(c1)CCC[C@H]2C1=NCCN1 | nan | ||
| CHEMBL1522778 | 44637 | 3 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 200 | 1 | 1 | 2 | 2.1 | c1ccc2c(c1)CCC[C@H]2C1=NCCN1 | nan | ||
| 1224 | 1404 | 79 | None | -239 | 13 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1404 | 79 | None | -239 | 13 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1404 | 79 | None | -239 | 13 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1404 | 79 | None | -239 | 13 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1404 | 79 | None | -239 | 13 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1404 | 79 | None | -239 | 13 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 9308 | 17572 | 16 | None | -11 | 9 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | nan | ||
| CHEMBL1255785 | 17572 | 16 | None | -11 | 9 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | nan | ||
| CHEMBL12587 | 17572 | 16 | None | -11 | 9 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | nan | ||
| CHEMBL292911 | 17572 | 16 | None | -11 | 9 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | nan | ||
| 6603758 | 41168 | 1 | None | -31 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1490326 | 41168 | 1 | None | -31 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O | nan | ||
| 5626 | 56273 | 18 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 277 | 7 | 0 | 3 | 3.3 | CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1 | nan | ||
| CHEMBL16410 | 56273 | 18 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 277 | 7 | 0 | 3 | 3.3 | CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1 | nan | ||
| 1756 | 116071 | 25 | None | 30 | 3 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 187 | 1 | 0 | 4 | 0.8 | N#Cc1c(-c2ccccc2)no[n+]1[O-] | nan | ||
| CHEMBL336467 | 116071 | 25 | None | 30 | 3 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 187 | 1 | 0 | 4 | 0.8 | N#Cc1c(-c2ccccc2)no[n+]1[O-] | nan | ||
| 6603850 | 153790 | 22 | None | 18 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 414 | 7 | 2 | 4 | 3.4 | O=C(NC[C@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F | nan | ||
| CHEMBL398673 | 153790 | 22 | None | 18 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 414 | 7 | 2 | 4 | 3.4 | O=C(NC[C@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F | nan | ||
| 3878 | 202997 | 117 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 255 | 1 | 2 | 5 | 2.0 | Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1 | nan | ||
| CHEMBL741 | 202997 | 117 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 255 | 1 | 2 | 5 | 2.0 | Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1 | nan | ||
| 2618363 | 20183 | 8 | None | -2 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 472 | 9 | 1 | 9 | 4.4 | CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)n2CC)sc(C(C)=O)c1C | nan | ||
| CHEMBL1306305 | 20183 | 8 | None | -2 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 472 | 9 | 1 | 9 | 4.4 | CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)n2CC)sc(C(C)=O)c1C | nan | ||
| 1046836 | 38272 | 10 | None | -2 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 3 | 0 | 5 | 5.2 | Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1 | nan | ||
| CHEMBL1464371 | 38272 | 10 | None | -2 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 3 | 0 | 5 | 5.2 | Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1 | nan | ||
| 2803 | 941 | 53 | None | -5370 | 11 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 516 | 941 | 53 | None | -5370 | 11 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 704 | 941 | 53 | None | -5370 | 11 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| CHEMBL134 | 941 | 53 | None | -5370 | 11 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| DB00575 | 941 | 53 | None | -5370 | 11 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | ||
| 1273 | 1724 | 14 | None | -436 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 3450 | 1724 | 14 | None | -436 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 356 | 1724 | 14 | None | -436 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 6172 | 1724 | 14 | None | -436 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 67425 | 1724 | 14 | None | -436 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| CHEMBL360055 | 1724 | 14 | None | -436 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| DB00483 | 1724 | 14 | None | -436 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 119376 | 1811 | 41 | None | -120226 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | nan | ||
| 247 | 1811 | 41 | None | -120226 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | nan | ||
| CHEMBL33884 | 1811 | 41 | None | -120226 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | nan | ||
| 235 | 2527 | 36 | None | -5888 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 312 | 5 | 1 | 5 | 2.6 | COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl | nan | ||
| 5311299 | 2527 | 36 | None | -5888 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 312 | 5 | 1 | 5 | 2.6 | COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl | nan | ||
| CHEMBL286136 | 2527 | 36 | None | -5888 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 312 | 5 | 1 | 5 | 2.6 | COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl | nan | ||
| 173 | 3211 | 88 | None | -194 | 7 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | nan | ||
| 5011 | 3211 | 88 | None | -194 | 7 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | nan | ||
| CHEMBL18772 | 3211 | 88 | None | -194 | 7 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | nan | ||
| 5281404 | 14340 | 82 | None | -5 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 182 | 0 | 1 | 1 | 3.0 | Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| CHEMBL12014 | 14340 | 82 | None | -5 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 182 | 0 | 1 | 1 | 3.0 | Cc1nccc2c1[nH]c1ccccc12 | nan | ||
| 249 | 16248 | 18 | None | -1995 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 102 | 2 | 0 | 1 | -0.1 | C[N+](C)(C)CC=O | nan | ||
| CHEMBL1231491 | 16248 | 18 | None | -1995 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 102 | 2 | 0 | 1 | -0.1 | C[N+](C)(C)CC=O | nan | ||
| 6560355 | 21160 | 2 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 434 | 6 | 4 | 12 | 0.2 | Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| CHEMBL1314178 | 21160 | 2 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 434 | 6 | 4 | 12 | 0.2 | Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| 6604102 | 26670 | 13 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 451 | 4 | 1 | 9 | 1.7 | COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC | nan | ||
| CHEMBL1363589 | 26670 | 13 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 451 | 4 | 1 | 9 | 1.7 | COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC | nan | ||
| CHEMBL1609597 | 26670 | 13 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 451 | 4 | 1 | 9 | 1.7 | COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC | nan | ||
| 5745 | 56929 | 73 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 402 | 3 | 1 | 6 | 2.6 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C | nan | ||
| CHEMBL1650 | 56929 | 73 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 402 | 3 | 1 | 6 | 2.6 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C | nan | ||
| 6603915 | 99520 | 25 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 434 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1 | nan | ||
| CHEMBL1775000 | 99520 | 25 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 434 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1 | nan | ||
| CHEMBL286607 | 99520 | 25 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 434 | 7 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1 | nan | ||
| 4515 | 178703 | 14 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 350 | 7 | 1 | 4 | 3.2 | O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1 | nan | ||
| CHEMBL473104 | 178703 | 14 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 350 | 7 | 1 | 4 | 3.2 | O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1 | nan | ||
| 442247 | 180101 | 4 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 3 | 0 | 7 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3 | nan | ||
| CHEMBL475536 | 180101 | 4 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 3 | 0 | 7 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3 | nan | ||
| 3899 | 206039 | 115 | None | -190 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.3 | Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| CHEMBL960 | 206039 | 115 | None | -190 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.3 | Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| 4891 | 206318 | 108 | None | -4 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 312 | 1 | 0 | 2 | 2.5 | O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1 | nan | ||
| CHEMBL976 | 206318 | 108 | None | -4 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 312 | 1 | 0 | 2 | 2.5 | O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1 | nan | ||
| 1342 | 36 | 42 | None | -954 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | nan | ||
| 3 | 36 | 42 | None | -954 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | nan | ||
| CHEMBL277120 | 36 | 42 | None | -954 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | nan | ||
| 274 | 3287 | 39 | None | -954 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 308 | 5 | 4 | 7 | 0.9 | CNc1nc(NC)nc(c1)NS(=O)(=O)c1ccc(cc1)N | nan | ||
| 5312145 | 3287 | 39 | None | -954 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 308 | 5 | 4 | 7 | 0.9 | CNc1nc(NC)nc(c1)NS(=O)(=O)c1ccc(cc1)N | nan | ||
| CHEMBL433461 | 3287 | 39 | None | -954 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 308 | 5 | 4 | 7 | 0.9 | CNc1nc(NC)nc(c1)NS(=O)(=O)c1ccc(cc1)N | nan | ||
| 3213 | 16208 | 73 | None | -2 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 246 | 0 | 1 | 1 | 4.5 | Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12 | nan | ||
| CHEMBL123 | 16208 | 73 | None | -2 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 246 | 0 | 1 | 1 | 4.5 | Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12 | nan | ||
| 54686776 | 23709 | 1 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 246 | 2 | 3 | 5 | 1.9 | O=c1cc(O)cc(/C=C\c2ccc(O)c(O)c2)o1 | nan | ||
| CHEMBL1336985 | 23709 | 1 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 246 | 2 | 3 | 5 | 1.9 | O=c1cc(O)cc(/C=C\c2ccc(O)c(O)c2)o1 | nan | ||
| 688591 | 53876 | 15 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NC[C@H](O)c1ccccc1Cl | nan | ||
| CHEMBL1607062 | 53876 | 15 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NC[C@H](O)c1ccccc1Cl | nan | ||
| 6604160 | 55673 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@@H](CSC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| CHEMBL1553768 | 55673 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@@H](CSC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| CHEMBL1624111 | 55673 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@@H](CSC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| 4223812 | 103380 | 72 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 246 | 2 | 0 | 2 | 1.4 | CCC(=O)N1CCN(C(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL309176 | 103380 | 72 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 246 | 2 | 0 | 2 | 1.4 | CCC(=O)N1CCN(C(=O)c2ccccc2)CC1 | nan | ||
| 3311 | 109578 | 19 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 248 | 2 | 2 | 2 | 3.8 | CCSC(=N)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| CHEMBL323542 | 109578 | 19 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 248 | 2 | 2 | 2 | 3.8 | CCSC(=N)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| CHEMBL542855 | 109578 | 19 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 248 | 2 | 2 | 2 | 3.8 | CCSC(=N)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| 1649 | 182175 | 102 | None | 2 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 241 | 1 | 1 | 3 | 2.2 | O=[N+]([O-])c1cccc2c(Br)n[nH]c12 | nan | ||
| CHEMBL479014 | 182175 | 102 | None | 2 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 241 | 1 | 1 | 3 | 2.2 | O=[N+]([O-])c1cccc2c(Br)n[nH]c12 | nan | ||
| 6604000 | 196589 | 10 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 496 | 10 | 1 | 6 | 3.8 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1 | nan | ||
| CHEMBL575768 | 196589 | 10 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 496 | 10 | 1 | 6 | 3.8 | COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1 | nan | ||
| 5924208 | 202767 | 65 | None | 2 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 519 | 1 | 2 | 2 | 5.0 | O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1 | nan | ||
| CHEMBL72365 | 202767 | 65 | None | 2 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 519 | 1 | 2 | 2 | 5.0 | O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1 | nan | ||
| 787 | 13129 | 46 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 33 | 0 | 2 | 2 | -0.7 | NO | nan | ||
| CHEMBL1191361 | 13129 | 46 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 33 | 0 | 2 | 2 | -0.7 | NO | nan | ||
| 6603767 | 14352 | 6 | None | 37 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 352 | 4 | 0 | 2 | 5.4 | CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 | nan | ||
| CHEMBL1201842 | 14352 | 6 | None | 37 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 352 | 4 | 0 | 2 | 5.4 | CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 | nan | ||
| 206530 | 30458 | 13 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 | nan | ||
| CHEMBL1394756 | 30458 | 13 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 | nan | ||
| 4593 | 39433 | 51 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 250 | 1 | 1 | 4 | 1.9 | Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1 | nan | ||
| CHEMBL1436121 | 39433 | 51 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 250 | 1 | 1 | 4 | 1.9 | Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1 | nan | ||
| CHEMBL1474900 | 39433 | 51 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 250 | 1 | 1 | 4 | 1.9 | Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1 | nan | ||
| 90660382 | 55115 | 0 | None | 5 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 516 | 5 | 3 | 5 | 5.7 | CC(=O)O[C@@H]1C[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O | nan | ||
| CHEMBL1394727 | 55115 | 0 | None | 5 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 516 | 5 | 3 | 5 | 5.7 | CC(=O)O[C@@H]1C[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O | nan | ||
| CHEMBL1619349 | 55115 | 0 | None | 5 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 516 | 5 | 3 | 5 | 5.7 | CC(=O)O[C@@H]1C[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O | nan | ||
| 3637 | 98140 | 61 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 160 | 1 | 2 | 4 | 0.9 | NNc1nncc2ccccc12 | nan | ||
| CHEMBL276832 | 98140 | 61 | None | - | 1 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 160 | 1 | 2 | 4 | 0.9 | NNc1nncc2ccccc12 | nan | ||
| 3773 | 98545 | 138 | None | 223 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 129 | 1 | 2 | 2 | 0.1 | O=C(O)C1CCNCC1 | nan | ||
| 6931652 | 98545 | 138 | None | 223 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 129 | 1 | 2 | 2 | 0.1 | O=C(O)C1CCNCC1 | nan | ||
| CHEMBL279998 | 98545 | 138 | None | 223 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 129 | 1 | 2 | 2 | 0.1 | O=C(O)C1CCNCC1 | nan | ||
| 71398 | 105958 | 37 | None | -3 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | nan | ||
| CHEMBL313972 | 105958 | 37 | None | -3 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | nan | ||
| 2039 | 173614 | 25 | None | 177 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 119 | 2 | 3 | 3 | -0.4 | N=C(N)SCCN | nan | ||
| CHEMBL454761 | 173614 | 25 | None | 177 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 119 | 2 | 3 | 3 | -0.4 | N=C(N)SCCN | nan | ||
| 5505 | 203453 | 97 | None | 1412 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 270 | 5 | 2 | 3 | 1.8 | CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 | nan | ||
| CHEMBL782 | 203453 | 97 | None | 1412 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 270 | 5 | 2 | 3 | 1.8 | CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 | nan | ||
| 449 | 2605 | 44 | None | -1 | 4 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | nan | ||
| 453 | 2605 | 44 | None | -1 | 4 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | nan | ||
| 6603931 | 2605 | 44 | None | -1 | 4 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | nan | ||
| CHEMBL273807 | 2605 | 44 | None | -1 | 4 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | nan | ||
| 5387 | 94438 | 24 | None | 269 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | nan | ||
| CHEMBL253978 | 94438 | 24 | None | 269 | 2 | Rat | 7.6 | pPotency | = | 7.6 | Functional | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | nan | ||
| 1613 | 2316 | 44 | None | -72 | 8 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 205 | 2316 | 44 | None | -72 | 8 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 3964 | 2316 | 44 | None | -72 | 8 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| CHEMBL831 | 2316 | 44 | None | -72 | 8 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| DB00408 | 2316 | 44 | None | -72 | 8 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 21138 | 97999 | 34 | None | -4 | 7 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| CHEMBL275742 | 97999 | 34 | None | -4 | 7 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| 6603867 | 101524 | 16 | None | - | 1 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | nan | ||
| CHEMBL301559 | 101524 | 16 | None | - | 1 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | nan | ||
| 5382 | 186168 | 76 | None | 112 | 2 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 400 | 4 | 0 | 4 | 6.7 | Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1 | nan | ||
| CHEMBL488803 | 186168 | 76 | None | 112 | 2 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 400 | 4 | 0 | 4 | 6.7 | Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1 | nan | ||
| 26987 | 936 | 29 | None | -301 | 21 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 936 | 29 | None | -301 | 21 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 936 | 29 | None | -301 | 21 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 936 | 29 | None | -301 | 21 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 936 | 29 | None | -301 | 21 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 2562 | 202893 | 47 | None | 1 | 2 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | nan | ||
| CHEMBL1256696 | 202893 | 47 | None | 1 | 2 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | nan | ||
| CHEMBL73234 | 202893 | 47 | None | 1 | 2 | Rat | 6.6 | pPotency | = | 6.6 | Functional | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | nan | ||
| 1548968 | 10437 | 18 | None | -2 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| CHEMBL1169388 | 10437 | 18 | None | -2 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| 6093264 | 47915 | 1 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 225 | 1 | 3 | 7 | -1.6 | N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H]12 | nan | ||
| CHEMBL1552021 | 47915 | 1 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 225 | 1 | 3 | 7 | -1.6 | N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H]12 | nan | ||
| 5494 | 95359 | 14 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 395 | 15 | 0 | 6 | 4.6 | CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1 | nan | ||
| CHEMBL258764 | 95359 | 14 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 395 | 15 | 0 | 6 | 4.6 | CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1 | nan | ||
| 6604834 | 33072 | 2 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 428 | 3 | 0 | 8 | 2.5 | COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O | nan | ||
| CHEMBL1418590 | 33072 | 2 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 428 | 3 | 0 | 8 | 2.5 | COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O | nan | ||
| 2123 | 37183 | 94 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 210 | 3 | 0 | 6 | 0.1 | CN(C)c1nc(N(C)C)nc(N(C)C)n1 | nan | ||
| CHEMBL1455 | 37183 | 94 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 210 | 3 | 0 | 6 | 0.1 | CN(C)c1nc(N(C)C)nc(N(C)C)n1 | nan | ||
| 5494 | 95359 | 14 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 395 | 15 | 0 | 6 | 4.6 | CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1 | nan | ||
| CHEMBL258764 | 95359 | 14 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 395 | 15 | 0 | 6 | 4.6 | CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1 | nan | ||
| 3136 | 154655 | 57 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 218 | 2 | 0 | 4 | 1.6 | COC1=C(OC)C(=O)c2ccccc2C1=O | nan | ||
| CHEMBL402468 | 154655 | 57 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 218 | 2 | 0 | 4 | 1.6 | COC1=C(OC)C(=O)c2ccccc2C1=O | nan | ||
| 3373 | 156160 | 111 | None | -89 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 303 | 2 | 0 | 5 | 1.8 | CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2 | nan | ||
| CHEMBL407 | 156160 | 111 | None | -89 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 303 | 2 | 0 | 5 | 1.8 | CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2 | nan | ||
| 6603954 | 200918 | 2 | None | 10 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | CCCN(CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1 | nan | ||
| CHEMBL612083 | 200918 | 2 | None | 10 | 2 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | CCCN(CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1 | nan | ||
| 2995 | 202700 | 49 | None | -346 | 6 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1696 | 202700 | 49 | None | -346 | 6 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL72 | 202700 | 49 | None | -346 | 6 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | nan | ||
| 18283 | 206571 | 93 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 224 | 2 | 2 | 5 | -0.7 | Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O | nan | ||
| CHEMBL991 | 206571 | 93 | None | - | 1 | Rat | 5.6 | pPotency | = | 5.6 | Functional | ChEMBL | 224 | 2 | 2 | 5 | -0.7 | Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O | nan | ||
| 1917 | 185 | 48 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 248 | 1 | 1 | 5 | 0.6 | Cn1c2nc([nH]c2c(=O)n(c1=O)C)C1CCCC1 | nan | ||
| 385 | 185 | 48 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 248 | 1 | 1 | 5 | 0.6 | Cn1c2nc([nH]c2c(=O)n(c1=O)C)C1CCCC1 | nan | ||
| CHEMBL106265 | 185 | 48 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 248 | 1 | 1 | 5 | 0.6 | Cn1c2nc([nH]c2c(=O)n(c1=O)C)C1CCCC1 | nan | ||
| 1028 | 287 | 69 | None | -724 | 16 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 139148732 | 287 | 69 | None | -724 | 16 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 479 | 287 | 69 | None | -724 | 16 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 5816 | 287 | 69 | None | -724 | 16 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL679 | 287 | 69 | None | -724 | 16 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00668 | 287 | 69 | None | -724 | 16 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 2216 | 442 | 46 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | nan | ||
| 229 | 442 | 46 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | nan | ||
| 7117 | 442 | 46 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | nan | ||
| CHEMBL647 | 442 | 46 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | nan | ||
| DB00964 | 442 | 46 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 244 | 1 | 3 | 4 | 1.9 | Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1 | nan | ||
| 1830 | 2552 | 39 | None | -4570 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | nan | ||
| 207 | 2552 | 39 | None | -4570 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | nan | ||
| 23897 | 2552 | 39 | None | -4570 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | nan | ||
| CHEMBL460 | 2552 | 39 | None | -4570 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | nan | ||
| DB01618 | 2552 | 39 | None | -4570 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | nan | ||
| 1960 | 2815 | 64 | None | -2398 | 13 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 439260 | 2815 | 64 | None | -2398 | 13 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 505 | 2815 | 64 | None | -2398 | 13 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL1437 | 2815 | 64 | None | -2398 | 13 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00368 | 2815 | 64 | None | -2398 | 13 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 404 | 4035 | 30 | None | -1318 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | nan | ||
| 432 | 4035 | 30 | None | -1318 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | nan | ||
| 5697 | 4035 | 30 | None | -1318 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | nan | ||
| CHEMBL273094 | 4035 | 30 | None | -1318 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | nan | ||
| 6603968 | 22895 | 4 | None | -7 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 414 | 4 | 1 | 8 | 2.4 | COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC | nan | ||
| CHEMBL1330659 | 22895 | 4 | None | -7 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 414 | 4 | 1 | 8 | 2.4 | COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC | nan | ||
| 6604018 | 34840 | 1 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 299 | 2 | 1 | 2 | 3.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 | nan | ||
| CHEMBL1433396 | 34840 | 1 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 299 | 2 | 1 | 2 | 3.1 | C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 | nan | ||
| 6603741 | 35550 | 2 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C\C#N)cc1 | nan | ||
| CHEMBL1441136 | 35550 | 2 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C\C#N)cc1 | nan | ||
| 6603757 | 35697 | 2 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccccc2)C1 | nan | ||
| CHEMBL1442462 | 35697 | 2 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 329 | 3 | 2 | 3 | 3.9 | C=CCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccccc2)C1 | nan | ||
| 6603858 | 36919 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 312 | 0 | 0 | 2 | 4.6 | C/C=C1\C(=O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C | nan | ||
| CHEMBL1452876 | 36919 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 312 | 0 | 0 | 2 | 4.6 | C/C=C1\C(=O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C | nan | ||
| 1748 | 41473 | 59 | None | -4 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(CCN)cc1O | nan | ||
| CHEMBL1492473 | 41473 | 59 | None | -4 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1ccc(CCN)cc1O | nan | ||
| 6093246 | 52288 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 281 | 1 | 1 | 3 | 3.2 | COc1ccc2c(c1O)-c1cccc3c1[C@H](C2)N(C)CC3 | nan | ||
| CHEMBL1592378 | 52288 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 281 | 1 | 1 | 3 | 3.2 | COc1ccc2c(c1O)-c1cccc3c1[C@H](C2)N(C)CC3 | nan | ||
| 6604075 | 55265 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 471 | 3 | 3 | 11 | 2.0 | Nc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2[C@@H]1O[C@H]2COP(=O)(O)O[C@@H]2[C@H]1O | nan | ||
| CHEMBL1433510 | 55265 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 471 | 3 | 3 | 11 | 2.0 | Nc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2[C@@H]1O[C@H]2COP(=O)(O)O[C@@H]2[C@H]1O | nan | ||
| CHEMBL1620658 | 55265 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 471 | 3 | 3 | 11 | 2.0 | Nc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2[C@@H]1O[C@H]2COP(=O)(O)O[C@@H]2[C@H]1O | nan | ||
| 6604096 | 55651 | 0 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| CHEMBL1514911 | 55651 | 0 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| CHEMBL1623887 | 55651 | 0 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 | nan | ||
| 535 | 96405 | 138 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 101 | 1 | 2 | 2 | -0.4 | NC1(C(=O)O)CC1 | nan | ||
| 6971063 | 96405 | 138 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 101 | 1 | 2 | 2 | -0.4 | NC1(C(=O)O)CC1 | nan | ||
| CHEMBL265325 | 96405 | 138 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 101 | 1 | 2 | 2 | -0.4 | NC1(C(=O)O)CC1 | nan | ||
| 12313010 | 97657 | 56 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 114 | 1 | 2 | 4 | -0.2 | NCc1cc(O)no1 | nan | ||
| 4266 | 97657 | 56 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 114 | 1 | 2 | 4 | -0.2 | NCc1cc(O)no1 | nan | ||
| CHEMBL273481 | 97657 | 56 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 114 | 1 | 2 | 4 | -0.2 | NCc1cc(O)no1 | nan | ||
| 158397 | 98136 | 49 | None | -2818 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 186 | 3 | 3 | 5 | -0.4 | Cc1onc(O)c1C[C@H](N)C(=O)O | nan | ||
| 7000183 | 98136 | 49 | None | -2818 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 186 | 3 | 3 | 5 | -0.4 | Cc1onc(O)c1C[C@H](N)C(=O)O | nan | ||
| CHEMBL276815 | 98136 | 49 | None | -2818 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 186 | 3 | 3 | 5 | -0.4 | Cc1onc(O)c1C[C@H](N)C(=O)O | nan | ||
| 60023011 | 109270 | 17 | None | -3 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 101 | 2 | 2 | 2 | -0.4 | NC/C=C\C(=O)O | nan | ||
| 6603697 | 109270 | 17 | None | -3 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 101 | 2 | 2 | 2 | -0.4 | NC/C=C\C(=O)O | nan | ||
| CHEMBL32307 | 109270 | 17 | None | -3 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 101 | 2 | 2 | 2 | -0.4 | NC/C=C\C(=O)O | nan | ||
| 6604005 | 156575 | 2 | None | -97 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 247 | 1 | 3 | 4 | 2.4 | Oc1ccc([C@@H]2CNCc3sccc32)cc1O | nan | ||
| CHEMBL407489 | 156575 | 2 | None | -97 | 4 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 247 | 1 | 3 | 4 | 2.4 | Oc1ccc([C@@H]2CNCc3sccc32)cc1O | nan | ||
| 2578 | 188803 | 96 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 213 | 5 | 1 | 3 | 1.2 | O=NN(CCCl)C(=O)NCCCl | nan | ||
| CHEMBL513 | 188803 | 96 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 213 | 5 | 1 | 3 | 1.2 | O=NN(CCCl)C(=O)NCCCl | nan | ||
| 202478 | 202981 | 15 | None | -10 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | nan | ||
| CHEMBL7393 | 202981 | 15 | None | -10 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | nan | ||
| 51670069 | 203340 | 103 | None | -7 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 102 | 0 | 2 | 3 | -1.6 | N[C@@H]1CONC1=O | nan | ||
| 6234 | 203340 | 103 | None | -7 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 102 | 0 | 2 | 3 | -1.6 | N[C@@H]1CONC1=O | nan | ||
| CHEMBL771 | 203340 | 103 | None | -7 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 102 | 0 | 2 | 3 | -1.6 | N[C@@H]1CONC1=O | nan | ||
| 2720 | 204218 | 80 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 295 | 1 | 2 | 5 | -0.1 | NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O | nan | ||
| CHEMBL842 | 204218 | 80 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 295 | 1 | 2 | 5 | -0.1 | NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O | nan | ||
| 3446 | 205685 | 111 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 171 | 3 | 2 | 2 | 1.4 | NCC1(CC(=O)O)CCCCC1 | nan | ||
| 6919078 | 205685 | 111 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 171 | 3 | 2 | 2 | 1.4 | NCC1(CC(=O)O)CCCCC1 | nan | ||
| CHEMBL940 | 205685 | 111 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 171 | 3 | 2 | 2 | 1.4 | NCC1(CC(=O)O)CCCCC1 | nan | ||
| 4209 | 3114 | 71 | None | -67608 | 10 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 4893 | 3114 | 71 | None | -67608 | 10 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 503 | 3114 | 71 | None | -67608 | 10 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 5385 | 3114 | 71 | None | -67608 | 10 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| CHEMBL2 | 3114 | 71 | None | -67608 | 10 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| DB00457 | 3114 | 71 | None | -67608 | 10 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | ||
| 3202 | 9110 | 22 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 166 | 2 | 1 | 1 | 2.0 | CC[N+](C)(C)c1cccc(O)c1 | nan | ||
| CHEMBL1104 | 9110 | 22 | None | 1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 166 | 2 | 1 | 1 | 2.0 | CC[N+](C)(C)c1cccc(O)c1 | nan | ||
| 6603836 | 17102 | 6 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 523 | 27 | 0 | 6 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC | nan | ||
| CHEMBL1257124 | 17102 | 6 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 523 | 27 | 0 | 6 | 6.5 | CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC | nan | ||
| 4282258 | 30930 | 10 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 394 | 5 | 0 | 3 | 4.0 | CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | nan | ||
| CHEMBL1400238 | 30930 | 10 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 394 | 5 | 0 | 3 | 4.0 | CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | nan | ||
| 6603979 | 35727 | 6 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL1442666 | 35727 | 6 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL1485765 | 35727 | 6 | None | -1 | 2 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 6603842 | 44018 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 550 | 27 | 1 | 6 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC | nan | ||
| CHEMBL1517187 | 44018 | 1 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 550 | 27 | 1 | 6 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC | nan | ||
| 6604061 | 55171 | 0 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| CHEMBL1406446 | 55171 | 0 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| CHEMBL1619865 | 55171 | 0 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | ||
| 104845 | 67262 | 25 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 332 | 1 | 1 | 3 | 3.8 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C | nan | ||
| CHEMBL190279 | 67262 | 25 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 332 | 1 | 1 | 3 | 3.8 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C | nan | ||
| 133012 | 110994 | 25 | None | -10000 | 5 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 506 | 9 | 1 | 9 | 2.9 | CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | nan | ||
| CHEMBL327708 | 110994 | 25 | None | -10000 | 5 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 506 | 9 | 1 | 9 | 2.9 | CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | nan | ||
| 5712 | 114299 | 78 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 304 | 4 | 1 | 4 | 3.8 | OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1 | nan | ||
| CHEMBL333985 | 114299 | 78 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 304 | 4 | 1 | 4 | 3.8 | OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1 | nan | ||
| 5411 | 202335 | 86 | None | -6 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | nan | ||
| CHEMBL698 | 202335 | 86 | None | -6 | 3 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 264 | 8 | 1 | 4 | 2.6 | CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | nan | ||
| 443758 | 205455 | 8 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 304 | 1 | 5 | 7 | 1.2 | O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O | nan | ||
| CHEMBL9249 | 205455 | 8 | None | - | 1 | Rat | 4.6 | pPotency | = | 4.6 | Functional | ChEMBL | 304 | 1 | 5 | 7 | 1.2 | O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O | nan | ||
| 135398737 | 944 | 89 | None | -28 | 36 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 944 | 89 | None | -28 | 36 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 944 | 89 | None | -28 | 36 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 944 | 89 | None | -28 | 36 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 944 | 89 | None | -28 | 36 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 2176 | 3077 | 66 | None | -57 | 6 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 4828 | 3077 | 66 | None | -57 | 6 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 91 | 3077 | 66 | None | -57 | 6 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| CHEMBL500 | 3077 | 66 | None | -57 | 6 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| DB00960 | 3077 | 66 | None | -57 | 6 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 1367 | 4303 | 103 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 134 | 0 | 1 | 4 | 0.1 | Nn1nnc2ccccc21 | nan | ||
| CHEMBL101168 | 4303 | 103 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 134 | 0 | 1 | 4 | 0.1 | Nn1nnc2ccccc21 | nan | ||
| 1669 | 10142 | 88 | None | 3 | 3 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1cc(CCN)ccc1O | nan | ||
| CHEMBL1160785 | 10142 | 88 | None | 3 | 3 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1cc(CCN)ccc1O | nan | ||
| CHEMBL1448326 | 10142 | 88 | None | 3 | 3 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 167 | 3 | 2 | 3 | 0.9 | COc1cc(CCN)ccc1O | nan | ||
| 6603815 | 21361 | 1 | None | 3 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 318 | 2 | 4 | 5 | 1.0 | OC[C@@H]1O[C@@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1316809 | 21361 | 1 | None | 3 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 318 | 2 | 4 | 5 | 1.0 | OC[C@@H]1O[C@@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H](O)[C@@H]1O | nan | ||
| 6093355 | 27376 | 14 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1 | nan | ||
| CHEMBL1369414 | 27376 | 14 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1 | nan | ||
| 6603709 | 30604 | 1 | None | 1258 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 302 | 0 | 1 | 3 | 4.0 | C[C@@]12CCC(=O)C(O)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 | nan | ||
| CHEMBL1396661 | 30604 | 1 | None | 1258 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 302 | 0 | 1 | 3 | 4.0 | C[C@@]12CCC(=O)C(O)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 | nan | ||
| 6603778 | 52225 | 3 | None | 251 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O | nan | ||
| CHEMBL1591541 | 52225 | 3 | None | 251 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O | nan | ||
| 6603814 | 52399 | 1 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 348 | 5 | 3 | 9 | -0.3 | O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2F)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1594003 | 52399 | 1 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 348 | 5 | 3 | 9 | -0.3 | O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2F)c([N+](=O)[O-])c1 | nan | ||
| 8743 | 94275 | 112 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 183 | 2 | 3 | 3 | -0.2 | O=C(O)c1cc(=O)cc(C(=O)O)[nH]1 | nan | ||
| CHEMBL252909 | 94275 | 112 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 183 | 2 | 3 | 3 | -0.2 | O=C(O)c1cc(=O)cc(C(=O)O)[nH]1 | nan | ||
| 5387 | 94438 | 24 | None | 269 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | nan | ||
| CHEMBL253978 | 94438 | 24 | None | 269 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | nan | ||
| 1359 | 98231 | 75 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 212 | 1 | 0 | 2 | 2.9 | FC(F)(F)c1ccccc1-n1ccnc1 | nan | ||
| CHEMBL277525 | 98231 | 75 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 212 | 1 | 0 | 2 | 2.9 | FC(F)(F)c1ccccc1-n1ccnc1 | nan | ||
| 5311191 | 112134 | 5 | None | 6 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL330274 | 112134 | 5 | None | 6 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 295 | 2 | 2 | 3 | 3.6 | CCCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| 439202 | 169084 | 28 | None | 125 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 176 | 5 | 4 | 4 | -2.0 | NC(N)=NOCC[C@H](N)C(=O)O | nan | ||
| 46224610 | 169084 | 28 | None | 125 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 176 | 5 | 4 | 4 | -2.0 | NC(N)=NOCC[C@H](N)C(=O)O | nan | ||
| CHEMBL443732 | 169084 | 28 | None | 125 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 176 | 5 | 4 | 4 | -2.0 | NC(N)=NOCC[C@H](N)C(=O)O | nan | ||
| 135419190 | 193191 | 64 | None | 8 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 316 | 2 | 2 | 3 | 4.2 | CC(C)(C)c1cc(/C=C(\C#N)C(N)=S)cc(C(C)(C)C)c1O | nan | ||
| CHEMBL539947 | 193191 | 64 | None | 8 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 316 | 2 | 2 | 3 | 4.2 | CC(C)(C)c1cc(/C=C(\C#N)C(N)=S)cc(C(C)(C)C)c1O | nan | ||
| 2895 | 201898 | 35 | None | -8 | 3 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | nan | ||
| CHEMBL669 | 201898 | 35 | None | -8 | 3 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | nan | ||
| 277 | 1274 | 55 | None | -26 | 25 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1274 | 55 | None | -26 | 25 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1274 | 55 | None | -26 | 25 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1274 | 55 | None | -26 | 25 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1274 | 55 | None | -26 | 25 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 3331 | 8402 | 100 | None | 2 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 238 | 5 | 2 | 4 | 1.0 | NC(=O)OCC(COC(N)=O)c1ccccc1 | nan | ||
| CHEMBL1094 | 8402 | 100 | None | 2 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 238 | 5 | 2 | 4 | 1.0 | NC(=O)OCC(COC(N)=O)c1ccccc1 | nan | ||
| 3074 | 17776 | 23 | None | 6 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 604 | 16 | 0 | 12 | 3.5 | COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | nan | ||
| CHEMBL126075 | 17776 | 23 | None | 6 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 604 | 16 | 0 | 12 | 3.5 | COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | nan | ||
| 6603956 | 36127 | 1 | None | 125 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 343 | 4 | 4 | 9 | 0.2 | OC[C@@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@@H](O)[C@H]1O | nan | ||
| CHEMBL1446512 | 36127 | 1 | None | 125 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 343 | 4 | 4 | 9 | 0.2 | OC[C@@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@@H](O)[C@H]1O | nan | ||
| 2995 | 202700 | 49 | None | -346 | 6 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1696 | 202700 | 49 | None | -346 | 6 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL72 | 202700 | 49 | None | -346 | 6 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | nan | ||
| 657347 | 5007 | 2 | None | 10 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | nan | ||
| CHEMBL105457 | 5007 | 2 | None | 10 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | nan | ||
| CHEMBL387632 | 5007 | 2 | None | 10 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | nan | ||
| 5074 | 3280 | 75 | None | -426 | 8 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | nan | ||
| 97 | 3280 | 75 | None | -426 | 8 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | nan | ||
| CHEMBL267777 | 3280 | 75 | None | -426 | 8 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | nan | ||
| DB12693 | 3280 | 75 | None | -426 | 8 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | nan | ||
| 1681 | 9134 | 50 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 131 | 0 | 1 | 1 | 1.0 | NCC#Cc1ccccc1 | nan | ||
| CHEMBL110611 | 9134 | 50 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 131 | 0 | 1 | 1 | 1.0 | NCC#Cc1ccccc1 | nan | ||
| 9604972 | 22112 | 1 | None | 11 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 247 | 2 | 1 | 5 | 1.6 | CCOC(=O)[C@@]12C[C@@H]1/C(=N/O)c1ccccc1O2 | nan | ||
| CHEMBL1323836 | 22112 | 1 | None | 11 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 247 | 2 | 1 | 5 | 1.6 | CCOC(=O)[C@@]12C[C@@H]1/C(=N/O)c1ccccc1O2 | nan | ||
| 671690 | 26890 | 32 | None | 3 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 313 | 2 | 0 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2 | nan | ||
| CHEMBL1365455 | 26890 | 32 | None | 3 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 313 | 2 | 0 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2 | nan | ||
| 6603948 | 52918 | 15 | None | 5 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 | nan | ||
| CHEMBL1598680 | 52918 | 15 | None | 5 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 | nan | ||
| 6603912 | 56242 | 11 | None | -3 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 257 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)NCC3 | nan | ||
| CHEMBL1638 | 56242 | 11 | None | -3 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 257 | 1 | 1 | 2 | 3.0 | COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)NCC3 | nan | ||
| 6604020 | 58356 | 6 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 191 | 5 | 4 | 3 | -0.6 | N/C(S)=N/CCC[C@@H](N)C(=O)O | nan | ||
| CHEMBL168461 | 58356 | 6 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 191 | 5 | 4 | 3 | -0.6 | N/C(S)=N/CCC[C@@H](N)C(=O)O | nan | ||
| 104999 | 60055 | 34 | None | -1 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.0 | CCc1c(C(=O)OC)[nH]cc2nc3cc(OC)c(OC)cc3c1-2 | nan | ||
| CHEMBL17468 | 60055 | 34 | None | -1 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.0 | CCc1c(C(=O)OC)[nH]cc2nc3cc(OC)c(OC)cc3c1-2 | nan | ||
| 4713 | 120215 | 106 | None | 1 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 267 | 2 | 1 | 4 | 3.1 | COc1cccc(-c2cc(=O)c3ccccc3o2)c1N | nan | ||
| CHEMBL35482 | 120215 | 106 | None | 1 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 267 | 2 | 1 | 4 | 3.1 | COc1cccc(-c2cc(=O)c3ccccc3o2)c1N | nan | ||
| 9417 | 132989 | 46 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| CHEMBL1524185 | 132989 | 46 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| CHEMBL370753 | 132989 | 46 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| 5681 | 161676 | 14 | None | 1 | 3 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 340 | 8 | 2 | 3 | 3.3 | NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| CHEMBL41631 | 161676 | 14 | None | 1 | 3 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 340 | 8 | 2 | 3 | 3.3 | NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| CHEMBL513116 | 161676 | 14 | None | 1 | 3 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 340 | 8 | 2 | 3 | 3.3 | NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 | nan | ||
| 5280343 | 187691 | 119 | None | -50 | 7 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | nan | ||
| CHEMBL1520590 | 187691 | 119 | None | -50 | 7 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | nan | ||
| CHEMBL50 | 187691 | 119 | None | -50 | 7 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | nan | ||
| 5413 | 205565 | 20 | None | 1 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 130 | 4 | 0 | 0 | 1.9 | CC[N+](CC)(CC)CC | nan | ||
| CHEMBL9324 | 205565 | 20 | None | 1 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 130 | 4 | 0 | 0 | 1.9 | CC[N+](CC)(CC)CC | nan | ||
| 1613 | 2316 | 44 | None | -72 | 8 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 205 | 2316 | 44 | None | -72 | 8 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 3964 | 2316 | 44 | None | -72 | 8 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| CHEMBL831 | 2316 | 44 | None | -72 | 8 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| DB00408 | 2316 | 44 | None | -72 | 8 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | nan | ||
| 688595 | 37459 | 6 | None | -1 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1 | nan | ||
| CHEMBL1457550 | 37459 | 6 | None | -1 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1 | nan | ||
| 90661404 | 76413 | 1 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 464 | 9 | 1 | 4 | 5.0 | COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NCCCCCCN1C(=O)C=CC1=O | nan | ||
| CHEMBL2068158 | 76413 | 1 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 464 | 9 | 1 | 4 | 5.0 | COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NCCCCCCN1C(=O)C=CC1=O | nan | ||
| 5289419 | 95370 | 62 | None | 3 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 241 | 2 | 2 | 3 | 1.9 | COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2 | nan | ||
| CHEMBL258805 | 95370 | 62 | None | 3 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 241 | 2 | 2 | 3 | 1.9 | COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2 | nan | ||
| 3727 | 98125 | 104 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 185 | 1 | 1 | 1 | -0.1 | NC(=O)CI | nan | ||
| CHEMBL276727 | 98125 | 104 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 185 | 1 | 1 | 1 | -0.1 | NC(=O)CI | nan | ||
| 54676228 | 192874 | 108 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | nan | ||
| CHEMBL527 | 192874 | 108 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | nan | ||
| 4353 | 17033 | 61 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 137 | 0 | 1 | 1 | 0.4 | CC(=O)NBr | nan | ||
| CHEMBL1256514 | 17033 | 61 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 137 | 0 | 1 | 1 | 0.4 | CC(=O)NBr | nan | ||
| 6603910 | 39412 | 0 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 361 | 3 | 0 | 4 | 2.0 | CN1C[C@@H](CS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21 | nan | ||
| CHEMBL1474544 | 39412 | 0 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 361 | 3 | 0 | 4 | 2.0 | CN1C[C@@H](CS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21 | nan | ||
| 6093303 | 41890 | 1 | None | -2 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 | nan | ||
| CHEMBL1496514 | 41890 | 1 | None | -2 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 | nan | ||
| 6603799 | 99253 | 12 | None | -2 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2 | nan | ||
| CHEMBL284746 | 99253 | 12 | None | -2 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 255 | 1 | 3 | 3 | 2.4 | Oc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2 | nan | ||
| 6603857 | 102163 | 29 | None | -1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 395 | 5 | 1 | 7 | 4.2 | CN(C)c1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1 | nan | ||
| CHEMBL30432 | 102163 | 29 | None | -1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 395 | 5 | 1 | 7 | 4.2 | CN(C)c1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1 | nan | ||
| 489 | 145 | 22 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | nan | ||
| 5640 | 145 | 22 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | nan | ||
| CHEMBL420060 | 145 | 22 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | nan | ||
| 107780 | 1814 | 50 | None | -13489 | 7 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| 14 | 1814 | 50 | None | -13489 | 7 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| CHEMBL15928 | 1814 | 50 | None | -13489 | 7 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 497 | 6 | 1 | 7 | 5.0 | COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C | nan | ||
| 5994 | 4573 | 85 | None | -4 | 4 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | nan | ||
| CHEMBL103 | 4573 | 85 | None | -4 | 4 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | nan | ||
| 1742 | 16500 | 99 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 152 | 1 | 3 | 3 | -0.0 | NNC(=O)c1ccc(O)cc1 | nan | ||
| CHEMBL124267 | 16500 | 99 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 152 | 1 | 3 | 3 | -0.0 | NNC(=O)c1ccc(O)cc1 | nan | ||
| 2457 | 27426 | 13 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 197 | 1 | 1 | 3 | 1.6 | c1ccc2nc(C3=NCCN3)ccc2c1 | nan | ||
| CHEMBL13698 | 27426 | 13 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 197 | 1 | 1 | 3 | 1.6 | c1ccc2nc(C3=NCCN3)ccc2c1 | nan | ||
| 6603725 | 30593 | 1 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 480 | 11 | 3 | 4 | 4.0 | C=CCc1ccccc1OC[C@H](O)CN[C@]1(C)CCC[C@@H](C(C)(C)NC(=O)CBr)C1 | nan | ||
| CHEMBL1396528 | 30593 | 1 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 480 | 11 | 3 | 4 | 4.0 | C=CCc1ccccc1OC[C@H](O)CN[C@]1(C)CCC[C@@H](C(C)(C)NC(=O)CBr)C1 | nan | ||
| 5537 | 32242 | 19 | None | -1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 405 | 3 | 0 | 6 | 3.6 | COc1cc2c(cc1OC)-c1c/c(=N/c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2 | nan | ||
| CHEMBL1411581 | 32242 | 19 | None | -1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 405 | 3 | 0 | 6 | 3.6 | COc1cc2c(cc1OC)-c1c/c(=N/c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2 | nan | ||
| 6603844 | 41116 | 8 | None | -1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 141 | 1 | 1 | 2 | 0.4 | CC[C@]1(C)CC(=O)NC1=O | nan | ||
| CHEMBL1489918 | 41116 | 8 | None | -1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 141 | 1 | 1 | 2 | 0.4 | CC[C@]1(C)CC(=O)NC1=O | nan | ||
| 2277 | 41859 | 21 | None | -1698 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 181 | 1 | 1 | 4 | 0.7 | CCN1CCc2nc(N)oc2CC1 | nan | ||
| CHEMBL149616 | 41859 | 21 | None | -1698 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 181 | 1 | 1 | 4 | 0.7 | CCN1CCc2nc(N)oc2CC1 | nan | ||
| 452009 | 45584 | 9 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 133 | 1 | 4 | 4 | -2.3 | OC[C@@H]1NC[C@@H](O)[C@H]1O | nan | ||
| CHEMBL1531321 | 45584 | 9 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 133 | 1 | 4 | 4 | -2.3 | OC[C@@H]1NC[C@@H](O)[C@H]1O | nan | ||
| 6604137 | 48045 | 0 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 415 | 2 | 2 | 5 | 3.8 | Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 | nan | ||
| CHEMBL1371893 | 48045 | 0 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 415 | 2 | 2 | 5 | 3.8 | Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 | nan | ||
| CHEMBL1553819 | 48045 | 0 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 415 | 2 | 2 | 5 | 3.8 | Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 | nan | ||
| 6603699 | 52507 | 6 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 127 | 3 | 2 | 2 | -0.2 | C#C[C@H](N)CCC(=O)O | nan | ||
| CHEMBL1594901 | 52507 | 6 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 127 | 3 | 2 | 2 | -0.2 | C#C[C@H](N)CCC(=O)O | nan | ||
| 6604114 | 55404 | 2 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 264 | 5 | 3 | 6 | -0.1 | COc1cc([C@@H](O)CO)ccc1OS(=O)(=O)O | nan | ||
| CHEMBL1444706 | 55404 | 2 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 264 | 5 | 3 | 6 | -0.1 | COc1cc([C@@H](O)CO)ccc1OS(=O)(=O)O | nan | ||
| CHEMBL1621912 | 55404 | 2 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 264 | 5 | 3 | 6 | -0.1 | COc1cc([C@@H](O)CO)ccc1OS(=O)(=O)O | nan | ||
| 157717 | 59926 | 33 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | nan | ||
| CHEMBL1741004 | 59926 | 33 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | nan | ||
| CHEMBL2062339 | 59926 | 33 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | nan | ||
| 92766 | 106060 | 30 | None | 1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | nan | ||
| CHEMBL31410 | 106060 | 30 | None | 1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | nan | ||
| 54677470 | 198867 | 110 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | nan | ||
| CHEMBL1256873 | 198867 | 110 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | nan | ||
| CHEMBL599 | 198867 | 110 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | nan | ||
| 4891 | 206318 | 108 | None | -4 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 312 | 1 | 0 | 2 | 2.5 | O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1 | nan | ||
| CHEMBL976 | 206318 | 108 | None | -4 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 312 | 1 | 0 | 2 | 2.5 | O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1 | nan | ||
| 2519 | 767 | 83 | None | 575 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | nan | ||
| 407 | 767 | 83 | None | 575 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | nan | ||
| 463 | 767 | 83 | None | 575 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | nan | ||
| CHEMBL113 | 767 | 83 | None | 575 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | nan | ||
| DB00201 | 767 | 83 | None | 575 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | nan | ||
| 3042 | 1386 | 31 | None | -26 | 14 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1386 | 31 | None | -26 | 14 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1386 | 31 | None | -26 | 14 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1386 | 31 | None | -26 | 14 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1386 | 31 | None | -26 | 14 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 1782 | 2482 | 81 | None | -1 | 12 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 241 | 2482 | 81 | None | -1 | 12 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 4168 | 2482 | 81 | None | -1 | 12 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| CHEMBL86 | 2482 | 81 | None | -1 | 12 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| DB01233 | 2482 | 81 | None | -1 | 12 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | nan | ||
| 40468046 | 31637 | 11 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 1.8 | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 | nan | ||
| 6603903 | 31637 | 11 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 1.8 | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 | nan | ||
| CHEMBL1406871 | 31637 | 11 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 1.8 | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 | nan | ||
| 297284 | 32259 | 24 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 220 | 1 | 1 | 2 | 3.5 | Nc1ccc(-c2ccc3ccccc3n2)cc1 | nan | ||
| CHEMBL1255755 | 32259 | 24 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 220 | 1 | 1 | 2 | 3.5 | Nc1ccc(-c2ccc3ccccc3n2)cc1 | nan | ||
| CHEMBL1411717 | 32259 | 24 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 220 | 1 | 1 | 2 | 3.5 | Nc1ccc(-c2ccc3ccccc3n2)cc1 | nan | ||
| 6603873 | 36263 | 1 | None | 56 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 388 | 5 | 4 | 9 | -0.3 | CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H](C(=O)NCC)[C@H](O)[C@@H]3O)c2n1 | nan | ||
| CHEMBL1447651 | 36263 | 1 | None | 56 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 388 | 5 | 4 | 9 | -0.3 | CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H](C(=O)NCC)[C@H](O)[C@@H]3O)c2n1 | nan | ||
| 6603969 | 39278 | 1 | None | 707 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1472700 | 39278 | 1 | None | 707 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O | nan | ||
| 181818 | 55141 | 33 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 255 | 3 | 1 | 3 | 2.3 | O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O | nan | ||
| CHEMBL1400884 | 55141 | 33 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 255 | 3 | 1 | 3 | 2.3 | O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O | nan | ||
| CHEMBL1619630 | 55141 | 33 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 255 | 3 | 1 | 3 | 2.3 | O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O | nan | ||
| 6604053 | 55909 | 2 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2ncn([C@@H]3O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| CHEMBL1338233 | 55909 | 2 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2ncn([C@@H]3O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| CHEMBL1626367 | 55909 | 2 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2ncn([C@@H]3O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| 6603967 | 198309 | 31 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 217 | 0 | 1 | 3 | 2.2 | N=C1Sc2ccccc2C2=NCCCN12 | nan | ||
| CHEMBL595227 | 198309 | 31 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 217 | 0 | 1 | 3 | 2.2 | N=C1Sc2ccccc2C2=NCCCN12 | nan | ||
| 1456 | 198855 | 76 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 187 | 0 | 0 | 5 | 0.8 | O=c1onc2cnc3ccccc3n12 | nan | ||
| CHEMBL598952 | 198855 | 76 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 187 | 0 | 0 | 5 | 0.8 | O=c1onc2cnc3ccccc3n12 | nan | ||
| 2915 | 200956 | 45 | None | 177 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 152 | 5 | 2 | 4 | 0.3 | NCCSSCCN | nan | ||
| CHEMBL61350 | 200956 | 45 | None | 177 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 152 | 5 | 2 | 4 | 0.3 | NCCSSCCN | nan | ||
| 3802 | 201334 | 16 | None | 239 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 307 | 0 | 1 | 5 | 2.8 | Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2 | nan | ||
| CHEMBL63329 | 201334 | 16 | None | 239 | 2 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 307 | 0 | 1 | 5 | 2.8 | Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2 | nan | ||
| 206530 | 30458 | 13 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 | nan | ||
| CHEMBL1394756 | 30458 | 13 | None | - | 1 | Rat | 7.5 | pPotency | = | 7.5 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 | nan | ||
| 1427 | 1982 | 50 | None | -776 | 10 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| 357 | 1982 | 50 | None | -776 | 10 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| 3696 | 1982 | 50 | None | -776 | 10 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL11 | 1982 | 50 | None | -776 | 10 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00458 | 1982 | 50 | None | -776 | 10 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | nan | ||
| 5014 | 25753 | 10 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 221 | 3 | 1 | 1 | 1.9 | Cc1cccc(C)c1NC(=O)C[N+](C)(C)C | nan | ||
| CHEMBL1354145 | 25753 | 10 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 221 | 3 | 1 | 1 | 1.9 | Cc1cccc(C)c1NC(=O)C[N+](C)(C)C | nan | ||
| 5284425 | 30433 | 1 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 281 | 3 | 4 | 9 | -1.5 | CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1394352 | 30433 | 1 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 281 | 3 | 4 | 9 | -1.5 | CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O | nan | ||
| 204966 | 30766 | 6 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 224 | 4 | 0 | 2 | 0.6 | C[N+](C)(C)CCOC(=O)CBr | nan | ||
| CHEMBL1398677 | 30766 | 6 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 224 | 4 | 0 | 2 | 0.6 | C[N+](C)(C)CCOC(=O)CBr | nan | ||
| 6604016 | 156374 | 4 | None | 17 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 195 | 2 | 0 | 1 | 3.6 | Cc1cccc(/C=C\c2ccccc2)n1 | nan | ||
| CHEMBL407232 | 156374 | 4 | None | 17 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 195 | 2 | 0 | 1 | 3.6 | Cc1cccc(/C=C\c2ccccc2)n1 | nan | ||
| 5467 | 204212 | 40 | None | -1 | 5 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | nan | ||
| CHEMBL84158 | 204212 | 40 | None | -1 | 5 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 328 | 8 | 1 | 5 | 1.2 | CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC | nan | ||
| 6604045 | 21769 | 0 | None | 11 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 438 | 0 | 1 | 5 | 5.3 | C[C@]12CC[C@H]3[C@H](CCC4=Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@]2(O)C#N | nan | ||
| CHEMBL1320743 | 21769 | 0 | None | 11 | 2 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 438 | 0 | 1 | 5 | 5.3 | C[C@]12CC[C@H]3[C@H](CCC4=Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@]2(O)C#N | nan | ||
| 6603924 | 47837 | 1 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 310 | 8 | 0 | 1 | 5.1 | CC[N+](CC)(CC)COc1ccc(/C=C\c2ccccc2)cc1 | nan | ||
| CHEMBL1550937 | 47837 | 1 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 310 | 8 | 0 | 1 | 5.1 | CC[N+](CC)(CC)COc1ccc(/C=C\c2ccccc2)cc1 | nan | ||
| 667687 | 94134 | 2 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C | nan | ||
| CHEMBL251904 | 94134 | 2 | None | - | 1 | Rat | 6.5 | pPotency | = | 6.5 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C | nan | ||
| 2470 | 3596 | 46 | None | -100000 | 11 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 3300 | 3596 | 46 | None | -100000 | 11 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 5265 | 3596 | 46 | None | -100000 | 11 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 99 | 3596 | 46 | None | -100000 | 11 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| CHEMBL267930 | 3596 | 46 | None | -100000 | 11 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | nan | ||
| 2277 | 41859 | 21 | None | -1698 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 181 | 1 | 1 | 4 | 0.7 | CCN1CCc2nc(N)oc2CC1 | nan | ||
| CHEMBL149616 | 41859 | 21 | None | -1698 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 181 | 1 | 1 | 4 | 0.7 | CCN1CCc2nc(N)oc2CC1 | nan | ||
| 6604107 | 55009 | 0 | None | -331 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 471 | 3 | 6 | 5 | 2.9 | N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@]1(CCN2CC1CC1)[C@H]3O5 | nan | ||
| CHEMBL1359159 | 55009 | 0 | None | -331 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 471 | 3 | 6 | 5 | 2.9 | N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@]1(CCN2CC1CC1)[C@H]3O5 | nan | ||
| CHEMBL1618433 | 55009 | 0 | None | -331 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 471 | 3 | 6 | 5 | 2.9 | N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@]1(CCN2CC1CC1)[C@H]3O5 | nan | ||
| 6603756 | 122389 | 3 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 279 | 5 | 4 | 5 | 1.4 | CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(O)nc12 | nan | ||
| CHEMBL36060 | 122389 | 3 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 279 | 5 | 4 | 5 | 1.4 | CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(O)nc12 | nan | ||
| 9417 | 132989 | 46 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| CHEMBL1524185 | 132989 | 46 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| CHEMBL370753 | 132989 | 46 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| 452723 | 163522 | 50 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 361 | 2 | 1 | 6 | 1.5 | C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | nan | ||
| 6956329 | 163522 | 50 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 361 | 2 | 1 | 6 | 1.5 | C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | nan | ||
| CHEMBL420937 | 163522 | 50 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 361 | 2 | 1 | 6 | 1.5 | C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | nan | ||
| 6603884 | 165352 | 2 | None | -9 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 337 | 3 | 1 | 3 | 4.1 | Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1 | nan | ||
| CHEMBL42501 | 165352 | 2 | None | -9 | 2 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 337 | 3 | 1 | 3 | 4.1 | Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1 | nan | ||
| 154734599 | 2467 | 8 | None | -53 | 5 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | nan | ||
| 327 | 2467 | 8 | None | -53 | 5 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | nan | ||
| 4108 | 2467 | 8 | None | -53 | 5 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | nan | ||
| CHEMBL27673 | 2467 | 8 | None | -53 | 5 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | nan | ||
| 9417 | 132989 | 46 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| CHEMBL1524185 | 132989 | 46 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| CHEMBL370753 | 132989 | 46 | None | - | 1 | Rat | 5.5 | pPotency | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| 443372 | 10138 | 23 | None | -9549 | 8 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL1160723 | 10138 | 23 | None | -9549 | 8 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL2062275 | 10138 | 23 | None | -9549 | 8 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | nan | ||
| 2708 | 189044 | 99 | None | -6456 | 3 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 303 | 9 | 1 | 2 | 3.4 | O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1 | nan | ||
| CHEMBL515 | 189044 | 99 | None | -6456 | 3 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 303 | 9 | 1 | 2 | 3.4 | O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1 | nan | ||
| 3519541 | 17080 | 31 | None | -2 | 3 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 290 | 3 | 1 | 2 | 4.8 | CC(C)(C=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 | nan | ||
| CHEMBL1256746 | 17080 | 31 | None | -2 | 3 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 290 | 3 | 1 | 2 | 4.8 | CC(C)(C=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 | nan | ||
| 2703 | 19948 | 61 | None | -1 | 3 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 348 | 2 | 0 | 4 | 3.7 | COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC | nan | ||
| CHEMBL13045 | 19948 | 61 | None | -1 | 3 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 348 | 2 | 0 | 4 | 3.7 | COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC | nan | ||
| CHEMBL258893 | 19948 | 61 | None | -1 | 3 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 348 | 2 | 0 | 4 | 3.7 | COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC | nan | ||
| 6603934 | 30427 | 2 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@@]2(CCN3CCc4c(oc5ccccc45)[C@@H]3C2)N(C)C1=O | nan | ||
| CHEMBL1394278 | 30427 | 2 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 339 | 0 | 0 | 3 | 3.3 | CN1CC[C@@]2(CCN3CCc4c(oc5ccccc45)[C@@H]3C2)N(C)C1=O | nan | ||
| 5327151 | 45751 | 2 | None | -1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 385 | 5 | 3 | 7 | 3.9 | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21 | nan | ||
| CHEMBL1532768 | 45751 | 2 | None | -1 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 385 | 5 | 3 | 7 | 3.9 | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21 | nan | ||
| 1663 | 119729 | 33 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 138 | 2 | 3 | 3 | 0.4 | NNCc1cccc(O)c1 | nan | ||
| CHEMBL352205 | 119729 | 33 | None | - | 1 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 138 | 2 | 3 | 3 | 0.4 | NNCc1cccc(O)c1 | nan | ||
| 60663 | 175096 | 37 | None | -2 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | nan | ||
| CHEMBL1421212 | 175096 | 37 | None | -2 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | nan | ||
| CHEMBL1534525 | 175096 | 37 | None | -2 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | nan | ||
| CHEMBL45816 | 175096 | 37 | None | -2 | 2 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | nan | ||
| 2708 | 189044 | 99 | None | -6456 | 3 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 303 | 9 | 1 | 2 | 3.4 | O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1 | nan | ||
| CHEMBL515 | 189044 | 99 | None | -6456 | 3 | Rat | 4.5 | pPotency | = | 4.5 | Functional | ChEMBL | 303 | 9 | 1 | 2 | 3.4 | O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1 | nan | ||
| 73314 | 16992 | 23 | None | 501 | 3 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 299 | 4 | 3 | 5 | 0.2 | CC(C)CN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl | nan | ||
| CHEMBL1256180 | 16992 | 23 | None | 501 | 3 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 299 | 4 | 3 | 5 | 0.2 | CC(C)CN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl | nan | ||
| 6324642 | 49592 | 1 | None | - | 1 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 425 | 7 | 5 | 10 | -0.3 | CNc1ncnc2c1ncn2[C@H]1C[C@@H](OP(=O)(O)O)[C@H](COP(=O)(O)O)O1 | nan | ||
| CHEMBL1567999 | 49592 | 1 | None | - | 1 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 425 | 7 | 5 | 10 | -0.3 | CNc1ncnc2c1ncn2[C@H]1C[C@@H](OP(=O)(O)O)[C@H](COP(=O)(O)O)O1 | nan | ||
| 6603797 | 67676 | 3 | None | 17 | 2 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 283 | 0 | 3 | 4 | 2.6 | CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL1257041 | 67676 | 3 | None | 17 | 2 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 283 | 0 | 3 | 4 | 2.6 | CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL19130 | 67676 | 3 | None | 17 | 2 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 283 | 0 | 3 | 4 | 2.6 | CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| 5310958 | 98963 | 27 | None | - | 1 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 159 | 3 | 3 | 3 | -0.9 | N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O | nan | ||
| CHEMBL282842 | 98963 | 27 | None | - | 1 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 159 | 3 | 3 | 3 | -0.9 | N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O | nan | ||
| 5311346 | 202453 | 22 | None | -467 | 5 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21 | nan | ||
| CHEMBL1256778 | 202453 | 22 | None | -467 | 5 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21 | nan | ||
| CHEMBL70565 | 202453 | 22 | None | -467 | 5 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21 | nan | ||
| 54705184 | 26004 | 21 | None | 501 | 2 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 358 | 2 | 2 | 3 | 3.5 | C/C(O)=C(/C#N)C(=O)Nc1cc(Br)ccc1Br | nan | ||
| CHEMBL1357247 | 26004 | 21 | None | 501 | 2 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 358 | 2 | 2 | 3 | 3.5 | C/C(O)=C(/C#N)C(=O)Nc1cc(Br)ccc1Br | nan | ||
| 1549 | 2247 | 106 | None | 1 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 174 | 5 | 4 | 3 | -1.5 | OC(=O)[C@H](CCCN=C(N)N)N | nan | ||
| 28782 | 2247 | 106 | None | 1 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 174 | 5 | 4 | 3 | -1.5 | OC(=O)[C@H](CCCN=C(N)N)N | nan | ||
| 6322 | 2247 | 106 | None | 1 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 174 | 5 | 4 | 3 | -1.5 | OC(=O)[C@H](CCCN=C(N)N)N | nan | ||
| 721 | 2247 | 106 | None | 1 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 174 | 5 | 4 | 3 | -1.5 | OC(=O)[C@H](CCCN=C(N)N)N | nan | ||
| CHEMBL1485 | 2247 | 106 | None | 1 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 174 | 5 | 4 | 3 | -1.5 | OC(=O)[C@H](CCCN=C(N)N)N | nan | ||
| DB00125 | 2247 | 106 | None | 1 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 174 | 5 | 4 | 3 | -1.5 | OC(=O)[C@H](CCCN=C(N)N)N | nan | ||
| 405252 | 11829 | 1 | None | -28 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O | nan | ||
| CHEMBL1182747 | 11829 | 1 | None | -28 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O | nan | ||
| CHEMBL263972 | 11829 | 1 | None | -28 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O | nan | ||
| 135914462 | 26106 | 20 | None | - | 1 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 233 | 6 | 3 | 6 | -1.6 | COC(=O)[C@H](N)CCC/N=C(\N)N[N+](=O)[O-] | nan | ||
| 164441 | 26106 | 20 | None | - | 1 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 233 | 6 | 3 | 6 | -1.6 | COC(=O)[C@H](N)CCC/N=C(\N)N[N+](=O)[O-] | nan | ||
| CHEMBL1358762 | 26106 | 20 | None | - | 1 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 233 | 6 | 3 | 6 | -1.6 | COC(=O)[C@H](N)CCC/N=C(\N)N[N+](=O)[O-] | nan | ||
| 60703 | 99378 | 73 | None | 17 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 347 | 5 | 1 | 2 | 4.5 | OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 | nan | ||
| CHEMBL28564 | 99378 | 73 | None | 17 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 347 | 5 | 1 | 2 | 4.5 | OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 | nan | ||
| 10091491 | 102909 | 2 | None | 16 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | nan | ||
| CHEMBL3084652 | 102909 | 2 | None | 16 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | nan | ||
| CHEMBL3216928 | 102909 | 2 | None | 16 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | nan | ||
| 24352 | 160547 | 8 | None | 16 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 340 | 6 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | nan | ||
| CHEMBL1256661 | 160547 | 8 | None | 16 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 340 | 6 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | nan | ||
| CHEMBL41169 | 160547 | 8 | None | 16 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 340 | 6 | 0 | 4 | 4.8 | CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | nan | ||
| 145946460 | 166983 | 0 | None | 19 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 474 | 9 | 4 | 13 | -2.3 | C[N+](C)(C)COP(=O)([O-])OP(=O)(O)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1O | nan | ||
| CHEMBL1553145 | 166983 | 0 | None | 19 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 474 | 9 | 4 | 13 | -2.3 | C[N+](C)(C)COP(=O)([O-])OP(=O)(O)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1O | nan | ||
| CHEMBL4300252 | 166983 | 0 | None | 19 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 474 | 9 | 4 | 13 | -2.3 | C[N+](C)(C)COP(=O)([O-])OP(=O)(O)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1O | nan | ||
| 405252 | 11829 | 1 | None | -28 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O | nan | ||
| CHEMBL1182747 | 11829 | 1 | None | -28 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O | nan | ||
| CHEMBL263972 | 11829 | 1 | None | -28 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O | nan | ||
| 4976 | 201885 | 27 | None | -28 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | nan | ||
| CHEMBL668 | 201885 | 27 | None | -28 | 2 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | nan | ||
| 1619531 | 29626 | 9 | None | 1 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 374 | 4 | 0 | 6 | 4.5 | Cc1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1387563 | 29626 | 9 | None | 1 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 374 | 4 | 0 | 6 | 4.5 | Cc1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)c([N+](=O)[O-])c1 | nan | ||
| 3236803 | 41500 | 8 | None | -3 | 4 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 302 | 2 | 0 | 4 | 2.6 | CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 | nan | ||
| CHEMBL1492648 | 41500 | 8 | None | -3 | 4 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 302 | 2 | 0 | 4 | 2.6 | CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 | nan | ||
| 191 | 399 | 92 | None | -3630 | 22 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -3630 | 22 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -3630 | 22 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -3630 | 22 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -3630 | 22 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 5360696 | 1379 | 27 | None | -1318 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| 6953 | 1379 | 27 | None | -1318 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| 842 | 1379 | 27 | None | -1318 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| CHEMBL52440 | 1379 | 27 | None | -1318 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| DB00514 | 1379 | 27 | None | -1318 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 271 | 1 | 0 | 2 | 3.4 | COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C | nan | ||
| 6603800 | 3492 | 9 | None | -1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c([C@@H](C1)c1ccccc1)cc(c(c2)Cl)O | nan | ||
| 956 | 3492 | 9 | None | -1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c([C@@H](C1)c1ccccc1)cc(c(c2)Cl)O | nan | ||
| CHEMBL63321 | 3492 | 9 | None | -1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 287 | 1 | 1 | 2 | 3.7 | CN1CCc2c([C@@H](C1)c1ccccc1)cc(c(c2)Cl)O | nan | ||
| 6603977 | 17086 | 33 | None | 1 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 334 | 6 | 0 | 4 | 4.9 | O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1 | nan | ||
| CHEMBL1256851 | 17086 | 33 | None | 1 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 334 | 6 | 0 | 4 | 4.9 | O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1 | nan | ||
| 6603855 | 22181 | 3 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 2.3 | C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1)OCO3 | nan | ||
| CHEMBL1324434 | 22181 | 3 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 295 | 1 | 2 | 5 | 2.3 | C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1)OCO3 | nan | ||
| 6603989 | 23257 | 20 | None | 7 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 354 | 8 | 3 | 7 | 3.2 | CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 | nan | ||
| CHEMBL133342 | 23257 | 20 | None | 7 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 354 | 8 | 3 | 7 | 3.2 | CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 | nan | ||
| 203685 | 30541 | 8 | None | -301 | 4 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@H](O)CNC(C)C | nan | ||
| CHEMBL1395661 | 30541 | 8 | None | -301 | 4 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@H](O)CNC(C)C | nan | ||
| 440707 | 94314 | 59 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 346 | 2 | 2 | 4 | 2.8 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| CHEMBL253144 | 94314 | 59 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 346 | 2 | 2 | 4 | 2.8 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| 156294 | 96891 | 5 | None | 1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | nan | ||
| CHEMBL269362 | 96891 | 5 | None | 1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | nan | ||
| 6603866 | 96979 | 15 | None | -1202 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 | nan | ||
| CHEMBL26998 | 96979 | 15 | None | -1202 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 | nan | ||
| CHEMBL541268 | 96979 | 15 | None | -1202 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 | nan | ||
| 175540 | 118750 | 45 | None | -173 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | nan | ||
| CHEMBL343633 | 118750 | 45 | None | -173 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | nan | ||
| 4735 | 193445 | 92 | None | -75 | 10 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 193445 | 92 | None | -75 | 10 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 193445 | 92 | None | -75 | 10 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| 5924208 | 202767 | 65 | None | 2 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 519 | 1 | 2 | 2 | 5.0 | O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1 | nan | ||
| CHEMBL72365 | 202767 | 65 | None | 2 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 519 | 1 | 2 | 2 | 5.0 | O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1 | nan | ||
| 136775316 | 14533 | 6 | None | 1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 1030 | 12 | 10 | 15 | 3.6 | O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1 | nan | ||
| 4466 | 14533 | 6 | None | 1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 1030 | 12 | 10 | 15 | 3.6 | O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1 | nan | ||
| CHEMBL1206126 | 14533 | 6 | None | 1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 1030 | 12 | 10 | 15 | 3.6 | O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1 | nan | ||
| CHEMBL216504 | 14533 | 6 | None | 1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 1030 | 12 | 10 | 15 | 3.6 | O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1 | nan | ||
| 2497 | 17100 | 3 | None | -281 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 512 | 15 | 2 | 2 | 7.7 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| CHEMBL1257056 | 17100 | 3 | None | -281 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 512 | 15 | 2 | 2 | 7.7 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| CHEMBL1315457 | 17100 | 3 | None | -281 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 512 | 15 | 2 | 2 | 7.7 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 | nan | ||
| 671690 | 26890 | 32 | None | 3 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 313 | 2 | 0 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2 | nan | ||
| CHEMBL1365455 | 26890 | 32 | None | 3 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 313 | 2 | 0 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2 | nan | ||
| 688585 | 94252 | 20 | None | 4 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 278 | 4 | 0 | 2 | 3.9 | Cc1ccc(/C(=C/CN2CCCC2)c2ccccn2)cc1 | nan | ||
| CHEMBL252745 | 94252 | 20 | None | 4 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 278 | 4 | 0 | 2 | 3.9 | Cc1ccc(/C(=C/CN2CCCC2)c2ccccn2)cc1 | nan | ||
| 6603867 | 101524 | 16 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | nan | ||
| CHEMBL301559 | 101524 | 16 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | nan | ||
| 43815 | 186337 | 58 | None | -30 | 7 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186337 | 58 | None | -30 | 7 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186337 | 58 | None | -30 | 7 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 135419190 | 193191 | 64 | None | 8 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 316 | 2 | 2 | 3 | 4.2 | CC(C)(C)c1cc(/C=C(\C#N)C(N)=S)cc(C(C)(C)C)c1O | nan | ||
| CHEMBL539947 | 193191 | 64 | None | 8 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 316 | 2 | 2 | 3 | 4.2 | CC(C)(C)c1cc(/C=C(\C#N)C(N)=S)cc(C(C)(C)C)c1O | nan | ||
| 638340 | 22192 | 2 | None | 4466 | 2 | Rat | 8.4 | pPotency | = | 8.4 | Functional | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 | nan | ||
| CHEMBL1324521 | 22192 | 2 | None | 4466 | 2 | Rat | 8.4 | pPotency | = | 8.4 | Functional | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 | nan | ||
| 637577 | 28626 | 11 | None | - | 1 | Rat | 8.4 | pPotency | = | 8.4 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| CHEMBL1379091 | 28626 | 11 | None | - | 1 | Rat | 8.4 | pPotency | = | 8.4 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 | nan | ||
| 6604134 | 55666 | 1 | None | 7079 | 2 | Rat | 8.4 | pPotency | = | 8.4 | Functional | ChEMBL | 505 | 8 | 7 | 13 | -1.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1554202 | 55666 | 1 | None | 7079 | 2 | Rat | 8.4 | pPotency | = | 8.4 | Functional | ChEMBL | 505 | 8 | 7 | 13 | -1.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1624044 | 55666 | 1 | None | 7079 | 2 | Rat | 8.4 | pPotency | = | 8.4 | Functional | ChEMBL | 505 | 8 | 7 | 13 | -1.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O | nan | ||
| 5469318 | 86805 | 64 | None | 891 | 2 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 358 | 10 | 1 | 2 | 6.9 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O | nan | ||
| CHEMBL23293 | 86805 | 64 | None | 891 | 2 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 358 | 10 | 1 | 2 | 6.9 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O | nan | ||
| 6603917 | 179384 | 3 | None | - | 1 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 207 | 4 | 1 | 2 | 2.7 | Cc1cccc(C)c1OC[C@@H](N)C(C)C | nan | ||
| CHEMBL474672 | 179384 | 3 | None | - | 1 | Rat | 7.4 | pPotency | = | 7.4 | Functional | ChEMBL | 207 | 4 | 1 | 2 | 2.7 | Cc1cccc(C)c1OC[C@@H](N)C(C)C | nan | ||
| 1328 | 1342 | 30 | None | -147 | 4 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | nan | ||
| 445 | 1342 | 30 | None | -147 | 4 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | nan | ||
| CHEMBL11348 | 1342 | 30 | None | -147 | 4 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | nan | ||
| 21138 | 97999 | 34 | None | -4 | 7 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| CHEMBL275742 | 97999 | 34 | None | -4 | 7 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| 4910 | 98916 | 26 | None | 1 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 353 | 10 | 0 | 3 | 4.7 | CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL282567 | 98916 | 26 | None | 1 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 353 | 10 | 0 | 3 | 4.7 | CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL347036 | 98916 | 26 | None | 1 | 3 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 353 | 10 | 0 | 3 | 4.7 | CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 | nan | ||
| 688024 | 36892 | 3 | None | - | 1 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2 | nan | ||
| CHEMBL1452657 | 36892 | 3 | None | - | 1 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2 | nan | ||
| 6603768 | 39318 | 1 | None | - | 1 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C1\c2ccccc2Sc2cc(Cl)ccc21 | nan | ||
| CHEMBL1473303 | 39318 | 1 | None | - | 1 | Rat | 6.4 | pPotency | = | 6.4 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C1\c2ccccc2Sc2cc(Cl)ccc21 | nan | ||
| 2371253 | 28396 | 6 | None | 1 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 458 | 7 | 1 | 6 | 4.5 | O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCCCC1 | nan | ||
| CHEMBL1376861 | 28396 | 6 | None | 1 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 458 | 7 | 1 | 6 | 4.5 | O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCCCC1 | nan | ||
| 2142 | 3047 | 54 | None | -4073 | 14 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 4920903 | 3047 | 54 | None | -4073 | 14 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 502 | 3047 | 54 | None | -4073 | 14 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 5775 | 3047 | 54 | None | -4073 | 14 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| CHEMBL597 | 3047 | 54 | None | -4073 | 14 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| DB00692 | 3047 | 54 | None | -4073 | 14 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | ||
| 1431 | 3544 | 47 | None | -9 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 213 | 2 | 1 | 4 | 3.5 | Cc1ccc(c(n1)/N=N/c1ccccc1)O | nan | ||
| 5218788 | 3544 | 47 | None | -9 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 213 | 2 | 1 | 4 | 3.5 | Cc1ccc(c(n1)/N=N/c1ccccc1)O | nan | ||
| CHEMBL405358 | 3544 | 47 | None | -9 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 213 | 2 | 1 | 4 | 3.5 | Cc1ccc(c(n1)/N=N/c1ccccc1)O | nan | ||
| CHEMBL88553 | 3544 | 47 | None | -9 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 213 | 2 | 1 | 4 | 3.5 | Cc1ccc(c(n1)/N=N/c1ccccc1)O | nan | ||
| 260 | 3808 | 49 | None | -6 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 2775 | 3808 | 49 | None | -6 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 656665 | 3808 | 49 | None | -6 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| CHEMBL56564 | 3808 | 49 | None | -6 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| DB11699 | 3808 | 49 | None | -6 | 3 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 1331 | 5339 | 6 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 282 | 6 | 4 | 4 | 2.0 | N=C(N)SCCc1cccc(CCSC(=N)N)c1 | nan | ||
| CHEMBL107201 | 5339 | 6 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 282 | 6 | 4 | 4 | 2.0 | N=C(N)SCCc1cccc(CCSC(=N)N)c1 | nan | ||
| 6604027 | 34824 | 1 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 296 | 6 | 0 | 1 | 4.3 | C[C@@H](COc1ccc(/C=C\c2ccccc2)cc1)[N+](C)(C)C | nan | ||
| CHEMBL1433276 | 34824 | 1 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 296 | 6 | 0 | 1 | 4.3 | C[C@@H](COc1ccc(/C=C\c2ccccc2)cc1)[N+](C)(C)C | nan | ||
| 6604705 | 35128 | 2 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 213 | 4 | 3 | 3 | 0.3 | C=C(C)[C@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O | nan | ||
| CHEMBL1437221 | 35128 | 2 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 213 | 4 | 3 | 3 | 0.3 | C=C(C)[C@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O | nan | ||
| 6603832 | 54267 | 1 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 340 | 6 | 2 | 4 | 2.7 | CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCN(CC)C2)c1O | nan | ||
| CHEMBL1610296 | 54267 | 1 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 340 | 6 | 2 | 4 | 2.7 | CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCN(CC)C2)c1O | nan | ||
| 156294 | 96891 | 5 | None | 1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | nan | ||
| CHEMBL269362 | 96891 | 5 | None | 1 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | nan | ||
| 99625 | 101852 | 44 | None | 5 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 331 | 7 | 1 | 3 | 3.3 | O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)OCc1ccccc1 | nan | ||
| CHEMBL303579 | 101852 | 44 | None | 5 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 331 | 7 | 1 | 3 | 3.3 | O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)OCc1ccccc1 | nan | ||
| 439280 | 119514 | 104 | None | -6165 | 7 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | nan | ||
| 6971044 | 119514 | 104 | None | -6165 | 7 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | nan | ||
| CHEMBL350221 | 119514 | 104 | None | -6165 | 7 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 220 | 3 | 4 | 3 | 0.8 | N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O | nan | ||
| 65351 | 154114 | 23 | None | 2 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 147 | 0 | 1 | 1 | 1.3 | S=C(S)N1CCCC1 | nan | ||
| CHEMBL1449651 | 154114 | 23 | None | 2 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 147 | 0 | 1 | 1 | 1.3 | S=C(S)N1CCCC1 | nan | ||
| CHEMBL399491 | 154114 | 23 | None | 2 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 147 | 0 | 1 | 1 | 1.3 | S=C(S)N1CCCC1 | nan | ||
| 824226 | 196931 | 50 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 340 | 2 | 4 | 4 | 3.9 | Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1 | nan | ||
| CHEMBL578741 | 196931 | 50 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 340 | 2 | 4 | 4 | 3.9 | Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1 | nan | ||
| 139054390 | 203215 | 101 | None | -1 | 7 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | N[C@H](CCC(=O)O)C(=O)O | nan | ||
| 23327 | 203215 | 101 | None | -1 | 7 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | N[C@H](CCC(=O)O)C(=O)O | nan | ||
| CHEMBL76232 | 203215 | 101 | None | -1 | 7 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | N[C@H](CCC(=O)O)C(=O)O | nan | ||
| 3074 | 17776 | 23 | None | 6 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 604 | 16 | 0 | 12 | 3.5 | COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | nan | ||
| CHEMBL126075 | 17776 | 23 | None | 6 | 2 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 604 | 16 | 0 | 12 | 3.5 | COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC | nan | ||
| 23497 | 22690 | 36 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 211 | 3 | 3 | 5 | 0.1 | COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 | nan | ||
| CHEMBL1328898 | 22690 | 36 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 211 | 3 | 3 | 5 | 0.1 | COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 | nan | ||
| 6328079 | 30964 | 7 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 | nan | ||
| CHEMBL1400543 | 30964 | 7 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 | nan | ||
| 4011 | 81996 | 43 | None | -363 | 23 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81996 | 43 | None | -363 | 23 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 9417 | 132989 | 46 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| CHEMBL1524185 | 132989 | 46 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| CHEMBL370753 | 132989 | 46 | None | - | 1 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 363 | 6 | 1 | 4 | 3.3 | OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1 | nan | ||
| 6518171 | 167733 | 49 | None | -1 | 10 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | ||
| CHEMBL434063 | 167733 | 49 | None | -1 | 10 | Rat | 5.4 | pPotency | = | 5.4 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | ||
| 5227 | 16217 | 19 | None | - | 1 | Rat | 8.3 | pPotency | = | 8.3 | Functional | ChEMBL | 175 | 5 | 2 | 3 | 1.0 | CN(C)CCCCSC(=N)N | nan | ||
| CHEMBL1230270 | 16217 | 19 | None | - | 1 | Rat | 8.3 | pPotency | = | 8.3 | Functional | ChEMBL | 175 | 5 | 2 | 3 | 1.0 | CN(C)CCCCSC(=N)N | nan | ||
| 736083 | 161665 | 15 | None | 120 | 3 | Rat | 8.3 | pPotency | = | 8.3 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL416288 | 161665 | 15 | None | 120 | 3 | Rat | 8.3 | pPotency | = | 8.3 | Functional | ChEMBL | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| 2148 | 3827 | 109 | None | -1 | 4 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | nan | ||
| 2150 | 3827 | 109 | None | -1 | 4 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | nan | ||
| 2784 | 3827 | 109 | None | -1 | 4 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | nan | ||
| 5610 | 3827 | 109 | None | -1 | 4 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | nan | ||
| CHEMBL11608 | 3827 | 109 | None | -1 | 4 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | nan | ||
| DB08841 | 3827 | 109 | None | -1 | 4 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 137 | 2 | 2 | 2 | 0.9 | NCCc1ccc(cc1)O | nan | ||
| 37542 | 56459 | 92 | None | 316 | 2 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 244 | 3 | 4 | 8 | -3.0 | NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 | nan | ||
| CHEMBL1643 | 56459 | 92 | None | 316 | 2 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 244 | 3 | 4 | 8 | -3.0 | NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 | nan | ||
| 123895 | 95723 | 14 | None | - | 1 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 190 | 5 | 6 | 4 | -1.3 | N=C(NO)NCCC[C@H](N)C(=O)O | nan | ||
| 25799416 | 95723 | 14 | None | - | 1 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 190 | 5 | 6 | 4 | -1.3 | N=C(NO)NCCC[C@H](N)C(=O)O | nan | ||
| CHEMBL260629 | 95723 | 14 | None | - | 1 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 190 | 5 | 6 | 4 | -1.3 | N=C(NO)NCCC[C@H](N)C(=O)O | nan | ||
| 736041 | 25781 | 3 | None | - | 1 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1354398 | 25781 | 3 | None | - | 1 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1 | nan | ||
| 6604031 | 25901 | 1 | None | 10 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 650 | 13 | 2 | 12 | 3.9 | C/C=C(\C)C(=O)O[C@@H]1C(C)=C2[C@@H]3OC(=O)[C@](C)(O)[C@@]3(O)[C@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC | nan | ||
| CHEMBL1355952 | 25901 | 1 | None | 10 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 650 | 13 | 2 | 12 | 3.9 | C/C=C(\C)C(=O)O[C@@H]1C(C)=C2[C@@H]3OC(=O)[C@](C)(O)[C@@]3(O)[C@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC | nan | ||
| 3106 | 48256 | 14 | None | 25 | 3 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 237 | 7 | 2 | 3 | 2.8 | CCCN(CCC)CCc1ccc(O)c(O)c1 | nan | ||
| CHEMBL15564 | 48256 | 14 | None | 25 | 3 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 237 | 7 | 2 | 3 | 2.8 | CCCN(CCC)CCc1ccc(O)c(O)c1 | nan | ||
| 6603954 | 200918 | 2 | None | 10 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | CCCN(CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1 | nan | ||
| CHEMBL612083 | 200918 | 2 | None | 10 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | CCCN(CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1 | nan | ||
| 6603735 | 154787 | 2 | None | 9 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 445 | 8 | 2 | 4 | 3.6 | O=S(=O)(NCCNC/C=C\c1ccc(Br)cc1)c1cccc2cnccc12 | nan | ||
| CHEMBL403128 | 154787 | 2 | None | 9 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 445 | 8 | 2 | 4 | 3.6 | O=S(=O)(NCCNC/C=C\c1ccc(Br)cc1)c1cccc2cnccc12 | nan | ||
| 2337349 | 23763 | 3 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 384 | 1 | 0 | 2 | 4.7 | O=c1cc(-c2c(F)c(F)c(F)c(F)c2F)oc2c(F)c(F)c(F)c(F)c12 | nan | ||
| CHEMBL1337500 | 23763 | 3 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 384 | 1 | 0 | 2 | 4.7 | O=c1cc(-c2c(F)c(F)c(F)c(F)c2F)oc2c(F)c(F)c(F)c(F)c12 | nan | ||
| 6518655 | 108320 | 7 | None | -3 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 528 | 7 | 1 | 7 | 5.5 | COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 | nan | ||
| CHEMBL3209511 | 108320 | 7 | None | -3 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 528 | 7 | 1 | 7 | 5.5 | COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 | nan | ||
| 2131 | 3443 | 63 | None | -478 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 380 | 5 | 1 | 2 | 6.1 | CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 | nan | ||
| 6604009 | 3443 | 63 | None | -478 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 380 | 5 | 1 | 2 | 6.1 | CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 | nan | ||
| CHEMBL10284 | 3443 | 63 | None | -478 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 380 | 5 | 1 | 2 | 6.1 | CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1 | nan | ||
| 33624 | 3761 | 29 | None | -17378 | 5 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| 4061 | 3761 | 29 | None | -17378 | 5 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| 565 | 3761 | 29 | None | -17378 | 5 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| CHEMBL499 | 3761 | 29 | None | -17378 | 5 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| DB00373 | 3761 | 29 | None | -17378 | 5 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| 6603881 | 11165 | 20 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 328 | 7 | 1 | 2 | 4.4 | Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1179104 | 11165 | 20 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 328 | 7 | 1 | 2 | 4.4 | Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL60342 | 11165 | 20 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 328 | 7 | 1 | 2 | 4.4 | Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1 | nan | ||
| 6604012 | 21495 | 2 | None | 4 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 330 | 2 | 2 | 6 | 2.2 | CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CC[C@@H](O)C3 | nan | ||
| CHEMBL1318470 | 21495 | 2 | None | 4 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 330 | 2 | 2 | 6 | 2.2 | CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CC[C@@H](O)C3 | nan | ||
| 1385580 | 29063 | 73 | None | -1047 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | nan | ||
| 4615 | 29063 | 73 | None | -1047 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | nan | ||
| CHEMBL13828 | 29063 | 73 | None | -1047 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | nan | ||
| 6604836 | 30481 | 1 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 523 | 7 | 3 | 7 | 5.5 | CNc1ccc2oc(C[C@H]3O[C@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O | nan | ||
| CHEMBL1394992 | 30481 | 1 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 523 | 7 | 3 | 7 | 5.5 | CNc1ccc2oc(C[C@H]3O[C@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O | nan | ||
| 6328079 | 30964 | 7 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 | nan | ||
| CHEMBL1400543 | 30964 | 7 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 | nan | ||
| 6603929 | 31044 | 8 | None | -158 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCC[C@@](C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL1401296 | 31044 | 8 | None | -158 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 484 | 14 | 0 | 7 | 5.1 | COc1ccc(CCN(C)CCC[C@@](C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| 6560181 | 44199 | 1 | None | -3 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 394 | 3 | 0 | 6 | 3.7 | C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 | nan | ||
| CHEMBL1518927 | 44199 | 1 | None | -3 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 394 | 3 | 0 | 6 | 3.7 | C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 | nan | ||
| 6604746 | 47886 | 1 | None | 5 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@]21C | nan | ||
| CHEMBL1551576 | 47886 | 1 | None | 5 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@]21C | nan | ||
| 682802 | 55034 | 15 | None | -2 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 267 | 2 | 0 | 4 | 3.1 | C/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1 | nan | ||
| CHEMBL161867 | 55034 | 15 | None | -2 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 267 | 2 | 0 | 4 | 3.1 | C/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1 | nan | ||
| 639540 | 93857 | 9 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
| CHEMBL250447 | 93857 | 9 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
| 6603867 | 101524 | 16 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | nan | ||
| CHEMBL301559 | 101524 | 16 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | nan | ||
| 133012 | 110994 | 25 | None | -10000 | 5 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 506 | 9 | 1 | 9 | 2.9 | CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | nan | ||
| CHEMBL327708 | 110994 | 25 | None | -10000 | 5 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 506 | 9 | 1 | 9 | 2.9 | CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | nan | ||
| 145947081 | 167060 | 0 | None | 7 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 759 | 13 | 8 | 19 | -3.0 | NC(=S)c1ccc[n+]([C@@H]2O[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OP(=O)(O)O)[C@H]3O)[C@@H](O)[C@H]2O)c1 | nan | ||
| CHEMBL1406513 | 167060 | 0 | None | 7 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 759 | 13 | 8 | 19 | -3.0 | NC(=S)c1ccc[n+]([C@@H]2O[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OP(=O)(O)O)[C@H]3O)[C@@H](O)[C@H]2O)c1 | nan | ||
| CHEMBL4301402 | 167060 | 0 | None | 7 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 759 | 13 | 8 | 19 | -3.0 | NC(=S)c1ccc[n+]([C@@H]2O[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OP(=O)(O)O)[C@H]3O)[C@@H](O)[C@H]2O)c1 | nan | ||
| 1210 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 905 | 45 | None | -512 | 17 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1547484 | 927 | 70 | None | -39 | 19 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 927 | 70 | None | -39 | 19 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 927 | 70 | None | -39 | 19 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 927 | 70 | None | -39 | 19 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 927 | 70 | None | -39 | 19 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 5281878 | 1630 | 33 | None | -1258 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 5281881 | 1630 | 33 | None | -1258 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 948 | 1630 | 33 | None | -1258 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 968 | 1630 | 33 | None | -1258 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL42055 | 1630 | 33 | None | -1258 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL54661 | 1630 | 33 | None | -1258 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00875 | 1630 | 33 | None | -1258 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 154412 | 22810 | 11 | None | 3 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 | nan | ||
| CHEMBL1329927 | 22810 | 11 | None | 3 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 | nan | ||
| 6603718 | 26917 | 4 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 329 | 1 | 3 | 10 | -0.8 | Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@@H]1O | nan | ||
| CHEMBL1365681 | 26917 | 4 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 329 | 1 | 3 | 10 | -0.8 | Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@@H]1O | nan | ||
| 6603998 | 37302 | 1 | None | 5 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 268 | 2 | 2 | 3 | 2.7 | CN1CCc2cc(NC(=O)Nc3cccnc3)ccc21 | nan | ||
| CHEMBL1456087 | 37302 | 1 | None | 5 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 268 | 2 | 2 | 3 | 2.7 | CN1CCc2cc(NC(=O)Nc3cccnc3)ccc21 | nan | ||
| 173685 | 39404 | 9 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 139 | 1 | 2 | 2 | 0.3 | N[C@@H]1C=CC=C(C(=O)O)C1 | nan | ||
| 29010882 | 39404 | 9 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 139 | 1 | 2 | 2 | 0.3 | N[C@@H]1C=CC=C(C(=O)O)C1 | nan | ||
| CHEMBL1474486 | 39404 | 9 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 139 | 1 | 2 | 2 | 0.3 | N[C@@H]1C=CC=C(C(=O)O)C1 | nan | ||
| 6603867 | 101524 | 16 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | nan | ||
| CHEMBL301559 | 101524 | 16 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | nan | ||
| 15136 | 107624 | 2 | None | -39 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 293 | 2 | 2 | 3 | 3.4 | C=CCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL319557 | 107624 | 2 | None | -39 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 293 | 2 | 2 | 3 | 3.4 | C=CCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| 5328760 | 194906 | 20 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 297 | 3 | 4 | 6 | 2.3 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL56393 | 194906 | 20 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 297 | 3 | 4 | 6 | 2.3 | N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1 | nan | ||
| 4212 | 197002 | 75 | None | -42 | 6 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL1417019 | 197002 | 75 | None | -42 | 6 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL58 | 197002 | 75 | None | -42 | 6 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| 26987 | 936 | 29 | None | -301 | 21 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 936 | 29 | None | -301 | 21 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 936 | 29 | None | -301 | 21 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 936 | 29 | None | -301 | 21 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 936 | 29 | None | -301 | 21 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 1607 | 17072 | 20 | None | - | 1 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 168 | 2 | 2 | 4 | 1.2 | CN(N=O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL1256623 | 17072 | 20 | None | - | 1 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 168 | 2 | 2 | 4 | 1.2 | CN(N=O)c1ccc(O)c(O)c1 | nan | ||
| 6603805 | 26422 | 1 | None | - | 1 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 275 | 1 | 0 | 4 | 1.8 | CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 | nan | ||
| CHEMBL1361497 | 26422 | 1 | None | - | 1 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 275 | 1 | 0 | 4 | 1.8 | CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 | nan | ||
| 6321302 | 35162 | 2 | None | - | 1 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 341 | 2 | 2 | 5 | 1.5 | O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 | nan | ||
| CHEMBL1437711 | 35162 | 2 | None | - | 1 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 341 | 2 | 2 | 5 | 1.5 | O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 | nan | ||
| 6603817 | 49444 | 3 | None | 2 | 2 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 288 | 0 | 1 | 2 | 3.9 | C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O | nan | ||
| CHEMBL1566783 | 49444 | 3 | None | 2 | 2 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 288 | 0 | 1 | 2 | 3.9 | C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O | nan | ||
| 4680 | 68521 | 44 | None | 8 | 3 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 339 | 6 | 0 | 5 | 3.9 | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | nan | ||
| CHEMBL19224 | 68521 | 44 | None | 8 | 3 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 339 | 6 | 0 | 5 | 3.9 | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | nan | ||
| CHEMBL98123 | 68521 | 44 | None | 8 | 3 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 339 | 6 | 0 | 5 | 3.9 | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | nan | ||
| 3883 | 182953 | 107 | None | 2 | 2 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | nan | ||
| CHEMBL480 | 182953 | 107 | None | 2 | 2 | Rat | 7.3 | pPotency | = | 7.3 | Functional | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | nan | ||
| 2726 | 906 | 64 | None | -436 | 35 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 906 | 64 | None | -436 | 35 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 906 | 64 | None | -436 | 35 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 906 | 64 | None | -436 | 35 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 906 | 64 | None | -436 | 35 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 6603706 | 21525 | 3 | None | 14 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(=O)O[C@@H](C)C[N+](C)(C)C | nan | ||
| CHEMBL1318739 | 21525 | 3 | None | 14 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(=O)O[C@@H](C)C[N+](C)(C)C | nan | ||
| 6603922 | 22092 | 1 | None | - | 1 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 278 | 1 | 0 | 4 | 3.1 | Cc1nnc2cc(-c3ccc(C(F)(F)F)cc3)cnn12 | nan | ||
| CHEMBL1323714 | 22092 | 1 | None | - | 1 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 278 | 1 | 0 | 4 | 3.1 | Cc1nnc2cc(-c3ccc(C(F)(F)F)cc3)cnn12 | nan | ||
| 131307 | 26552 | 8 | None | - | 1 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 357 | 6 | 0 | 3 | 4.1 | O=C(OC1CCN(CCCl)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1362548 | 26552 | 8 | None | - | 1 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 357 | 6 | 0 | 3 | 4.1 | O=C(OC1CCN(CCCl)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 6604011 | 52067 | 0 | None | -2 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 | nan | ||
| CHEMBL1589683 | 52067 | 0 | None | -2 | 2 | Rat | 6.3 | pPotency | = | 6.3 | Functional | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 | nan | ||
| 4431 | 2689 | 18 | None | -2884 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | nan | ||
| 73 | 2689 | 18 | None | -2884 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | nan | ||
| CHEMBL8618 | 2689 | 18 | None | -2884 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | nan | ||
| 124 | 2933 | 44 | None | -4168 | 21 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2933 | 44 | None | -4168 | 21 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2933 | 44 | None | -4168 | 21 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2933 | 44 | None | -4168 | 21 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2933 | 44 | None | -4168 | 21 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2274 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 121881 | 3434 | 21 | None | -100000 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | nan | ||
| 256 | 3434 | 21 | None | -100000 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | nan | ||
| CHEMBL68131 | 3434 | 21 | None | -100000 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | nan | ||
| 1652 | 3839 | 14 | None | -17378 | 8 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 3036289 | 3839 | 14 | None | -17378 | 8 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| CHEMBL441765 | 3839 | 14 | None | -17378 | 8 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 4.4 | O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl | nan | ||
| 3658 | 4044 | 47 | None | -58 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| 517 | 4044 | 47 | None | -58 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| 5709 | 4044 | 47 | None | -58 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| CHEMBL312448 | 4044 | 47 | None | -58 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| DB06694 | 4044 | 47 | None | -58 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | nan | ||
| 5994 | 4573 | 85 | None | -4 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | nan | ||
| CHEMBL103 | 4573 | 85 | None | -4 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 314 | 1 | 0 | 2 | 4.7 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | nan | ||
| 4564402 | 23107 | 2 | None | 1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 366 | 10 | 0 | 5 | 4.2 | COc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1 | nan | ||
| CHEMBL1332270 | 23107 | 2 | None | 1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 366 | 10 | 0 | 5 | 4.2 | COc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1 | nan | ||
| 1268140 | 27662 | 2 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 337 | 6 | 1 | 3 | 4.2 | CN1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 | nan | ||
| CHEMBL1371478 | 27662 | 2 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 337 | 6 | 1 | 3 | 4.2 | CN1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 | nan | ||
| 9604974 | 27683 | 1 | None | 5 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 650 | 5 | 4 | 10 | 3.3 | C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2/C(=N\N=C2/CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6CC=C)[C@@H]2O8)CC[C@]3(O)[C@@H]1C5 | nan | ||
| CHEMBL1371628 | 27683 | 1 | None | 5 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 650 | 5 | 4 | 10 | 3.3 | C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2/C(=N\N=C2/CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6CC=C)[C@@H]2O8)CC[C@]3(O)[C@@H]1C5 | nan | ||
| 6603988 | 30690 | 3 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 339 | 6 | 2 | 3 | 4.0 | C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 | nan | ||
| CHEMBL1397846 | 30690 | 3 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 339 | 6 | 2 | 3 | 4.0 | C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 | nan | ||
| 6328079 | 30964 | 7 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 | nan | ||
| CHEMBL1400543 | 30964 | 7 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 | nan | ||
| 6603939 | 36186 | 7 | None | 7 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 | nan | ||
| CHEMBL1446968 | 36186 | 7 | None | 7 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 | nan | ||
| 6093303 | 41890 | 1 | None | -2 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 | nan | ||
| CHEMBL1496514 | 41890 | 1 | None | -2 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 361 | 0 | 1 | 2 | 4.8 | CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 | nan | ||
| 6852254 | 52420 | 2 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | nan | ||
| CHEMBL1357401 | 52420 | 2 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | nan | ||
| CHEMBL1594227 | 52420 | 2 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | nan | ||
| 4306515 | 96863 | 86 | None | -1 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 352 | 3 | 0 | 3 | 5.2 | COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1 | nan | ||
| CHEMBL26915 | 96863 | 86 | None | -1 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 352 | 3 | 0 | 3 | 5.2 | COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1 | nan | ||
| 11953816 | 116566 | 19 | None | 1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 399 | 19 | 0 | 4 | 4.2 | CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C | nan | ||
| CHEMBL3392050 | 116566 | 19 | None | 1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 399 | 19 | 0 | 4 | 4.2 | CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C | nan | ||
| 6603710 | 123429 | 9 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 345 | 5 | 2 | 3 | 3.9 | CCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2c[nH]cn2)c1 | nan | ||
| CHEMBL362863 | 123429 | 9 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 345 | 5 | 2 | 3 | 3.9 | CCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2c[nH]cn2)c1 | nan | ||
| 1793 | 177780 | 15 | None | 4 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 257 | 2 | 4 | 6 | -0.6 | CN(C)c1nc(N)c(C(=O)NC(=N)N)nc1Cl | nan | ||
| CHEMBL465179 | 177780 | 15 | None | 4 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 257 | 2 | 4 | 6 | -0.6 | CN(C)c1nc(N)c(C(=O)NC(=N)N)nc1Cl | nan | ||
| 1317 | 195886 | 82 | None | 5 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 172 | 9 | 2 | 2 | 2.0 | NCCCCCCCCCCN | nan | ||
| CHEMBL570383 | 195886 | 82 | None | 5 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 172 | 9 | 2 | 2 | 2.0 | NCCCCCCCCCCN | nan | ||
| 3344 | 196641 | 51 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 260 | 3 | 1 | 3 | 1.8 | O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 | nan | ||
| CHEMBL576127 | 196641 | 51 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 260 | 3 | 1 | 3 | 1.8 | O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 | nan | ||
| 5770 | 203349 | 80 | None | -1 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | nan | ||
| CHEMBL772 | 203349 | 80 | None | -1 | 4 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | nan | ||
| 60840 | 205453 | 23 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 303 | 3 | 2 | 1 | 4.9 | CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1 | nan | ||
| CHEMBL92484 | 205453 | 23 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 303 | 3 | 2 | 1 | 4.9 | CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1 | nan | ||
| CHEMBL1394594 | 207016 | 1 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||||
| 2274 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3124 | 53 | None | -794 | 26 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 173 | 3211 | 88 | None | -194 | 7 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | nan | ||
| 5011 | 3211 | 88 | None | -194 | 7 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | nan | ||
| CHEMBL18772 | 3211 | 88 | None | -194 | 7 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | nan | ||
| 547 | 18712 | 115 | None | 7 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 168 | 2 | 3 | 3 | 0.7 | O=C(O)Cc1ccc(O)c(O)c1 | nan | ||
| CHEMBL1284 | 18712 | 115 | None | 7 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 168 | 2 | 3 | 3 | 0.7 | O=C(O)Cc1ccc(O)c(O)c1 | nan | ||
| 6603783 | 26405 | 3 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 367 | 4 | 3 | 5 | 0.6 | N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 | nan | ||
| CHEMBL1361297 | 26405 | 3 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 367 | 4 | 3 | 5 | 0.6 | N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1ccccc1 | nan | ||
| 6603825 | 39566 | 1 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 252 | 2 | 3 | 8 | -1.6 | OC[C@@H]1O[C@@H](n2cnc3cncnc32)[C@@H](O)[C@H]1O | nan | ||
| CHEMBL1476759 | 39566 | 1 | None | - | 1 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 252 | 2 | 3 | 8 | -1.6 | OC[C@@H]1O[C@@H](n2cnc3cncnc32)[C@@H](O)[C@H]1O | nan | ||
| 156294 | 96891 | 5 | None | 1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | nan | ||
| CHEMBL269362 | 96891 | 5 | None | 1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | nan | ||
| 969502 | 97660 | 3 | None | -4 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | nan | ||
| CHEMBL1314789 | 97660 | 3 | None | -4 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | nan | ||
| CHEMBL273490 | 97660 | 3 | None | -4 | 3 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 356 | 2 | 0 | 4 | 4.4 | CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | nan | ||
| 4456 | 98289 | 31 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 223 | 2 | 0 | 2 | 1.9 | CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1 | nan | ||
| CHEMBL278020 | 98289 | 31 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 223 | 2 | 0 | 2 | 1.9 | CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1 | nan | ||
| CHEMBL54126 | 98289 | 31 | None | -1 | 2 | Rat | 5.3 | pPotency | = | 5.3 | Functional | ChEMBL | 223 | 2 | 0 | 2 | 1.9 | CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1 | nan | ||
| 6603798 | 99717 | 5 | None | -1995 | 4 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 311 | 2 | 3 | 4 | 3.3 | CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL1613539 | 99717 | 5 | None | -1995 | 4 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 311 | 2 | 3 | 4 | 3.3 | CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL288096 | 99717 | 5 | None | -1995 | 4 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 311 | 2 | 3 | 4 | 3.3 | CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| 2796 | 195050 | 100 | None | 398 | 2 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 242 | 4 | 0 | 3 | 3.1 | CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 | nan | ||
| CHEMBL565 | 195050 | 100 | None | 398 | 2 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 242 | 4 | 0 | 3 | 3.1 | CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 | nan | ||
| 1357 | 2450 | 133 | None | -165 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | nan | ||
| 1672 | 2450 | 133 | None | -165 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | nan | ||
| 224 | 2450 | 133 | None | -165 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | nan | ||
| 896 | 2450 | 133 | None | -165 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | nan | ||
| CHEMBL45 | 2450 | 133 | None | -165 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | nan | ||
| DB01065 | 2450 | 133 | None | -165 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 232 | 4 | 2 | 2 | 1.9 | COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 | nan | ||
| 4991 | 9301 | 31 | None | 630 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 181 | 1 | 0 | 2 | 0.6 | CN(C)C(=O)Oc1ccc[n+](C)c1 | nan | ||
| CHEMBL1115 | 9301 | 31 | None | 630 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 181 | 1 | 0 | 2 | 0.6 | CN(C)C(=O)Oc1ccc[n+](C)c1 | nan | ||
| 6604144 | 55119 | 1 | None | 100 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 745 | 13 | 9 | 19 | -2.6 | NC(=O)C1=CN([C@@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](OP(=O)(O)O)[C@@H]3O)[C@H](O)[C@@H]2O)C=CC1 | nan | ||
| CHEMBL1396756 | 55119 | 1 | None | 100 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 745 | 13 | 9 | 19 | -2.6 | NC(=O)C1=CN([C@@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](OP(=O)(O)O)[C@@H]3O)[C@H](O)[C@@H]2O)C=CC1 | nan | ||
| CHEMBL1619387 | 55119 | 1 | None | 100 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 745 | 13 | 9 | 19 | -2.6 | NC(=O)C1=CN([C@@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](OP(=O)(O)O)[C@@H]3O)[C@H](O)[C@@H]2O)C=CC1 | nan | ||
| 119371 | 55831 | 1 | None | 630 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@@H](Cc1ccc2c(c1)OC(C(=O)O)(C(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1 | nan | ||
| CHEMBL1607250 | 55831 | 1 | None | 630 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@@H](Cc1ccc2c(c1)OC(C(=O)O)(C(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1 | nan | ||
| CHEMBL1625580 | 55831 | 1 | None | 630 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@@H](Cc1ccc2c(c1)OC(C(=O)O)(C(=O)O)O2)NC[C@H](O)c1cccc(Cl)c1 | nan | ||
| 1663 | 119729 | 33 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 138 | 2 | 3 | 3 | 0.4 | NNCc1cccc(O)c1 | nan | ||
| CHEMBL352205 | 119729 | 33 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 138 | 2 | 3 | 3 | 0.4 | NNCc1cccc(O)c1 | nan | ||
| 1678 | 172202 | 77 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 119 | 3 | 1 | 3 | -0.3 | O=C(O)CC[N+](=O)[O-] | nan | ||
| CHEMBL451226 | 172202 | 77 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 119 | 3 | 1 | 3 | -0.3 | O=C(O)CC[N+](=O)[O-] | nan | ||
| 3339 | 201946 | 114 | None | 33 | 6 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | nan | ||
| CHEMBL672 | 201946 | 114 | None | 33 | 6 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | nan | ||
| 28305488 | 203480 | 81 | None | 630 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 126 | 2 | 2 | 2 | 0.0 | O=C(O)Cc1c[nH]cn1 | nan | ||
| 96215 | 203480 | 81 | None | 630 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 126 | 2 | 2 | 2 | 0.0 | O=C(O)Cc1c[nH]cn1 | nan | ||
| CHEMBL784 | 203480 | 81 | None | 630 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 126 | 2 | 2 | 2 | 0.0 | O=C(O)Cc1c[nH]cn1 | nan | ||
| 1153 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| 12668023 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| 30026874 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| 30026875 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| 3341 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| 6603851 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| 933 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| 939 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| 985 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| CHEMBL1160786 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| CHEMBL1161520 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| CHEMBL588 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| DB00800 | 1598 | 53 | None | -676 | 6 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | nan | ||
| 1353 | 1880 | 85 | None | -5888 | 27 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 1880 | 85 | None | -5888 | 27 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 1880 | 85 | None | -5888 | 27 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 1880 | 85 | None | -5888 | 27 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 1880 | 85 | None | -5888 | 27 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 2270 | 3122 | 60 | None | 2 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | nan | ||
| 4811 | 3122 | 60 | None | 2 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | nan | ||
| 4913 | 3122 | 60 | None | 2 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | nan | ||
| CHEMBL640 | 3122 | 60 | None | 2 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | nan | ||
| DB01035 | 3122 | 60 | None | 2 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | nan | ||
| 122187 | 3646 | 14 | None | 3 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| 61 | 3646 | 14 | None | 3 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| CHEMBL22778 | 3646 | 14 | None | 3 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| 5311501 | 4019 | 8 | None | -645 | 7 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 4.6 | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 | nan | ||
| 733 | 4019 | 8 | None | -645 | 7 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 4.6 | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 | nan | ||
| CHEMBL188 | 4019 | 8 | None | -645 | 7 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 4.6 | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 | nan | ||
| DB13950 | 4019 | 8 | None | -645 | 7 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 4.6 | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 | nan | ||
| 6603937 | 27657 | 0 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 | nan | ||
| CHEMBL1371444 | 27657 | 0 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 | nan | ||
| 2782 | 31784 | 62 | None | 1 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | nan | ||
| CHEMBL1407943 | 31784 | 62 | None | 1 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | nan | ||
| CHEMBL3216363 | 31784 | 62 | None | 1 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 325 | 4 | 0 | 3 | 4.3 | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 | nan | ||
| 6603715 | 35179 | 1 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 406 | 12 | 0 | 1 | 5.3 | C=CCc1ccc([N+](C)(C)CCC(=O)CC[N+](C)(C)c2ccc(CC=C)cc2)cc1 | nan | ||
| CHEMBL1437831 | 35179 | 1 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 406 | 12 | 0 | 1 | 5.3 | C=CCc1ccc([N+](C)(C)CCC(=O)CC[N+](C)(C)c2ccc(CC=C)cc2)cc1 | nan | ||
| 6603990 | 39291 | 2 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 370 | 7 | 2 | 4 | 2.5 | NC(=O)c1ccc(OC[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1 | nan | ||
| CHEMBL1472903 | 39291 | 2 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 370 | 7 | 2 | 4 | 2.5 | NC(=O)c1ccc(OC[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1 | nan | ||
| 5086 | 40883 | 33 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 265 | 4 | 2 | 4 | 1.6 | NCCNC(=O)c1ncsc1-c1cccc(F)c1 | nan | ||
| CHEMBL1488153 | 40883 | 33 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 265 | 4 | 2 | 4 | 1.6 | NCCNC(=O)c1ncsc1-c1cccc(F)c1 | nan | ||
| 146570 | 43208 | 60 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| CHEMBL1508 | 43208 | 60 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | ||
| 636806 | 94533 | 28 | None | 1 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl | nan | ||
| CHEMBL254609 | 94533 | 28 | None | 1 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl | nan | ||
| 2179 | 166958 | 71 | None | 1 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | nan | ||
| CHEMBL1256655 | 166958 | 71 | None | 1 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | nan | ||
| CHEMBL43 | 166958 | 71 | None | 1 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | nan | ||
| 5312137 | 199780 | 55 | None | -44 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 371 | 3 | 2 | 3 | 2.6 | CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 | nan | ||
| CHEMBL605003 | 199780 | 55 | None | -44 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 371 | 3 | 2 | 3 | 2.6 | CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 | nan | ||
| 4342 | 8757 | 52 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 277 | 7 | 2 | 3 | 1.7 | CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 | nan | ||
| CHEMBL1097 | 8757 | 52 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 277 | 7 | 2 | 3 | 1.7 | CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 | nan | ||
| 156294 | 96891 | 5 | None | 1 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | nan | ||
| CHEMBL269362 | 96891 | 5 | None | 1 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | nan | ||
| 3397 | 203777 | 104 | None | 2 | 4 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | nan | ||
| CHEMBL806 | 203777 | 104 | None | 2 | 4 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | nan | ||
| 1548968 | 10437 | 18 | None | -2 | 2 | Rat | 6.2 | pPotency | = | 6.2 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| CHEMBL1169388 | 10437 | 18 | None | -2 | 2 | Rat | 6.2 | pPotency | = | 6.2 | Functional | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | nan | ||
| 66374 | 27448 | 17 | None | 4 | 2 | Rat | 6.2 | pPotency | = | 6.2 | Functional | ChEMBL | 204 | 1 | 0 | 3 | 2.1 | c1ccc([C@@H]2CN3CCSC3=N2)cc1 | nan | ||
| CHEMBL1369896 | 27448 | 17 | None | 4 | 2 | Rat | 6.2 | pPotency | = | 6.2 | Functional | ChEMBL | 204 | 1 | 0 | 3 | 2.1 | c1ccc([C@@H]2CN3CCSC3=N2)cc1 | nan | ||
| 3936 | 2180 | 28 | None | -3 | 6 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 582 | 11 | 1 | 8 | 6.8 | CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C | nan | ||
| 6603900 | 2180 | 28 | None | -3 | 6 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 582 | 11 | 1 | 8 | 6.8 | CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C | nan | ||
| CHEMBL288174 | 2180 | 28 | None | -3 | 6 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 582 | 11 | 1 | 8 | 6.8 | CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C | nan | ||
| 3433 | 155229 | 47 | None | - | 1 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 260 | 2 | 1 | 6 | 0.4 | Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2Cc1ccco1 | nan | ||
| CHEMBL405845 | 155229 | 47 | None | - | 1 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 260 | 2 | 1 | 6 | 0.4 | Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2Cc1ccco1 | nan | ||
| 610682 | 168790 | 17 | None | 4 | 2 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | c1ccc2cc(CC3=NCCN3)ccc2c1 | nan | ||
| CHEMBL441948 | 168790 | 17 | None | 4 | 2 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | c1ccc2cc(CC3=NCCN3)ccc2c1 | nan | ||
| 6603695 | 15118 | 1 | None | - | 1 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 322 | 4 | 1 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccccc1N)C2 | nan | ||
| CHEMBL1213138 | 15118 | 1 | None | - | 1 | Rat | 8.2 | pPotency | = | 8.2 | Functional | ChEMBL | 322 | 4 | 1 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccccc1N)C2 | nan | ||
| 11401613 | 27817 | 32 | None | - | 1 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 213 | 0 | 0 | 1 | 4.0 | Clc1nccc2c1ccc1ccccc12 | nan | ||
| CHEMBL1372588 | 27817 | 32 | None | - | 1 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 213 | 0 | 0 | 1 | 4.0 | Clc1nccc2c1ccc1ccccc12 | nan | ||
| 3645619 | 2985 | 13 | None | 1 | 2 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 334 | 4 | 1 | 4 | 2.4 | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C | nan | ||
| 975 | 2985 | 13 | None | 1 | 2 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 334 | 4 | 1 | 4 | 2.4 | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C | nan | ||
| CHEMBL45244 | 2985 | 13 | None | 1 | 2 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 334 | 4 | 1 | 4 | 2.4 | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C | nan | ||
| 1567 | 2282 | 106 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | OC(=O)[C@H](Cc1ccc(c(c1)O)O)N | nan | ||
| 3639 | 2282 | 106 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | OC(=O)[C@H](Cc1ccc(c(c1)O)O)N | nan | ||
| 6047 | 2282 | 106 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | OC(=O)[C@H](Cc1ccc(c(c1)O)O)N | nan | ||
| 6971033 | 2282 | 106 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | OC(=O)[C@H](Cc1ccc(c(c1)O)O)N | nan | ||
| CHEMBL1009 | 2282 | 106 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | OC(=O)[C@H](Cc1ccc(c(c1)O)O)N | nan | ||
| DB01235 | 2282 | 106 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 197 | 3 | 4 | 4 | 0.1 | OC(=O)[C@H](Cc1ccc(c(c1)O)O)N | nan | ||
| 2099 | 2997 | 77 | None | 234 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | nan | ||
| 4740 | 2997 | 77 | None | 234 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | nan | ||
| 7095 | 2997 | 77 | None | 234 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | nan | ||
| CHEMBL628 | 2997 | 77 | None | 234 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | nan | ||
| DB00806 | 2997 | 77 | None | 234 | 3 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | nan | ||
| 6603976 | 21461 | 11 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 220 | 5 | 2 | 2 | 2.3 | CCCN[C@@H](C)C(=O)Nc1ccccc1C | nan | ||
| CHEMBL1318078 | 21461 | 11 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 220 | 5 | 2 | 2 | 2.3 | CCCN[C@@H](C)C(=O)Nc1ccccc1C | nan | ||
| 667687 | 94134 | 2 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C | nan | ||
| CHEMBL251904 | 94134 | 2 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C | nan | ||
| 6603720 | 115005 | 37 | None | 562 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 116 | 0 | 2 | 3 | -1.1 | N[C@@H]1CCN(O)C1=O | nan | ||
| CHEMBL335231 | 115005 | 37 | None | 562 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 116 | 0 | 2 | 3 | -1.1 | N[C@@H]1CCN(O)C1=O | nan | ||
| 55993 | 189312 | 5 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 2.8 | CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1 | nan | ||
| CHEMBL51697 | 189312 | 5 | None | - | 1 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 238 | 1 | 1 | 2 | 2.8 | CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1 | nan | ||
| 1922 | 201130 | 39 | None | -23 | 9 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | nan | ||
| CHEMBL62350 | 201130 | 39 | None | -23 | 9 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | nan | ||
| 6603747 | 202510 | 3 | None | 1584 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 308 | 8 | 4 | 4 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)O | nan | ||
| CHEMBL70878 | 202510 | 3 | None | 1584 | 2 | Rat | 7.2 | pPotency | = | 7.2 | Functional | ChEMBL | 308 | 8 | 4 | 4 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)O | nan | ||
| 6604030 | 26024 | 3 | None | 158 | 2 | Rat | 6.2 | pPotency | = | 6.2 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2 | nan | ||
| CHEMBL1357558 | 26024 | 3 | None | 158 | 2 | Rat | 6.2 | pPotency | = | 6.2 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2 | nan | ||
| 3761713 | 45976 | 6 | None | -2 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 475 | 5 | 2 | 7 | 5.8 | COc1ccc(OC)c(C2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)c1 | nan | ||
| CHEMBL1534919 | 45976 | 6 | None | -2 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 475 | 5 | 2 | 7 | 5.8 | COc1ccc(OC)c(C2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)c1 | nan | ||
| 5311064 | 1339 | 41 | None | 3 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | nan | ||
| 534 | 1339 | 41 | None | 3 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | nan | ||
| 806 | 1339 | 41 | None | 3 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | nan | ||
| CHEMBL493682 | 1339 | 41 | None | 3 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | nan | ||
| 1212 | 1632 | 45 | None | -12882 | 31 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1632 | 45 | None | -12882 | 31 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1632 | 45 | None | -12882 | 31 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1632 | 45 | None | -12882 | 31 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1632 | 45 | None | -12882 | 31 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 2812 | 4711 | 96 | None | -104 | 39 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4711 | 96 | None | -104 | 39 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 4282258 | 30930 | 10 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 394 | 5 | 0 | 3 | 4.0 | CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | nan | ||
| CHEMBL1400238 | 30930 | 10 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 394 | 5 | 0 | 3 | 4.0 | CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 | nan | ||
| 6603842 | 44018 | 1 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 550 | 27 | 1 | 6 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC | nan | ||
| CHEMBL1517187 | 44018 | 1 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 550 | 27 | 1 | 6 | 6.0 | CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC | nan | ||
| 6603861 | 47836 | 2 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 414 | 3 | 2 | 4 | 1.9 | C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1 | nan | ||
| CHEMBL1550935 | 47836 | 2 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 414 | 3 | 2 | 4 | 1.9 | C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1 | nan | ||
| 6603792 | 182458 | 53 | None | 1 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 5.6 | Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1 | nan | ||
| CHEMBL47940 | 182458 | 53 | None | 1 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 5.6 | Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1 | nan | ||
| 3397 | 203777 | 104 | None | 2 | 4 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | nan | ||
| CHEMBL806 | 203777 | 104 | None | 2 | 4 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | nan | ||
| 1210 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 905 | 45 | None | -512 | 17 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1960 | 2815 | 64 | None | -2398 | 13 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 439260 | 2815 | 64 | None | -2398 | 13 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 505 | 2815 | 64 | None | -2398 | 13 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL1437 | 2815 | 64 | None | -2398 | 13 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00368 | 2815 | 64 | None | -2398 | 13 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 6603827 | 16968 | 35 | None | 5 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 268 | 7 | 2 | 2 | 2.3 | NC(=O)CNCCC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1255662 | 16968 | 35 | None | 5 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 268 | 7 | 2 | 2 | 2.3 | NC(=O)CNCCC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1554438 | 16968 | 35 | None | 5 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 268 | 7 | 2 | 2 | 2.3 | NC(=O)CNCCC(c1ccccc1)c1ccccc1 | nan | ||
| 6603794 | 23337 | 1 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 389 | 2 | 3 | 5 | 1.2 | NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H]([C@@H]1C[C@@H]3C=C[C@H]1C3)NS2(=O)=O | nan | ||
| CHEMBL1333981 | 23337 | 1 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 389 | 2 | 3 | 5 | 1.2 | NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H]([C@@H]1C[C@@H]3C=C[C@H]1C3)NS2(=O)=O | nan | ||
| 6604029 | 28383 | 1 | None | 1 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 268 | 2 | 4 | 7 | 1.0 | N#CC(C#N)=C/C(N)=C(/C#N)c1cc(O)c(O)c(O)c1 | nan | ||
| CHEMBL1376723 | 28383 | 1 | None | 1 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 268 | 2 | 4 | 7 | 1.0 | N#CC(C#N)=C/C(N)=C(/C#N)c1cc(O)c(O)c(O)c1 | nan | ||
| 6603988 | 30690 | 3 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 339 | 6 | 2 | 3 | 4.0 | C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 | nan | ||
| CHEMBL1397846 | 30690 | 3 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 339 | 6 | 2 | 3 | 4.0 | C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 | nan | ||
| 6328079 | 30964 | 7 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 | nan | ||
| CHEMBL1400543 | 30964 | 7 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 318 | 5 | 0 | 2 | 3.9 | CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 | nan | ||
| 6604027 | 34824 | 1 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 296 | 6 | 0 | 1 | 4.3 | C[C@@H](COc1ccc(/C=C\c2ccccc2)cc1)[N+](C)(C)C | nan | ||
| CHEMBL1433276 | 34824 | 1 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 296 | 6 | 0 | 1 | 4.3 | C[C@@H](COc1ccc(/C=C\c2ccccc2)cc1)[N+](C)(C)C | nan | ||
| 4477 | 36306 | 87 | None | 6 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 326 | 3 | 2 | 4 | 3.9 | O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O | nan | ||
| CHEMBL1448 | 36306 | 87 | None | 6 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 326 | 3 | 2 | 4 | 3.9 | O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O | nan | ||
| 6603866 | 96979 | 15 | None | -1202 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 | nan | ||
| CHEMBL26998 | 96979 | 15 | None | -1202 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 | nan | ||
| CHEMBL541268 | 96979 | 15 | None | -1202 | 3 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1 | nan | ||
| 3820 | 100841 | 91 | None | 5 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 326 | 0 | 2 | 1 | 4.1 | O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1 | nan | ||
| CHEMBL296586 | 100841 | 91 | None | 5 | 2 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 326 | 0 | 2 | 1 | 4.1 | O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1 | nan | ||
| 6603754 | 178658 | 37 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 252 | 5 | 4 | 4 | -1.1 | O=C(O)[C@H]1CN(CCCP(=O)(O)O)CCN1 | nan | ||
| CHEMBL47277 | 178658 | 37 | None | - | 1 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 252 | 5 | 4 | 4 | -1.1 | O=C(O)[C@H]1CN(CCCP(=O)(O)O)CCN1 | nan | ||
| 5311346 | 202453 | 22 | None | -467 | 5 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21 | nan | ||
| CHEMBL1256778 | 202453 | 22 | None | -467 | 5 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21 | nan | ||
| CHEMBL70565 | 202453 | 22 | None | -467 | 5 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21 | nan | ||
| 68617 | 203816 | 60 | None | -51 | 14 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 203816 | 60 | None | -51 | 14 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 203816 | 60 | None | -51 | 14 | Rat | 5.2 | pPotency | = | 5.2 | Functional | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 5764 | 3441 | 35 | None | 158 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 | nan | ||
| 6604858 | 3441 | 35 | None | 158 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 | nan | ||
| CHEMBL9843 | 3441 | 35 | None | 158 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 396 | 5 | 1 | 4 | 4.5 | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 | nan | ||
| 5219 | 12818 | 37 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 170 | 1 | 1 | 4 | -2.0 | N=c1c[n+](N2CCOCC2)[n-]o1 | nan | ||
| CHEMBL1189150 | 12818 | 37 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 170 | 1 | 1 | 4 | -2.0 | N=c1c[n+](N2CCOCC2)[n-]o1 | nan | ||
| 5233 | 17087 | 37 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 514 | 11 | 0 | 12 | -0.1 | CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O | nan | ||
| CHEMBL1256871 | 17087 | 37 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 514 | 11 | 0 | 12 | -0.1 | CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O | nan | ||
| 6604129 | 55523 | 2 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2ncn([C@@H]3O[C@@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| CHEMBL1474714 | 55523 | 2 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2ncn([C@@H]3O[C@@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| CHEMBL1622875 | 55523 | 2 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2ncn([C@@H]3O[C@@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | nan | ||
| 175540 | 118750 | 45 | None | -173 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | nan | ||
| CHEMBL343633 | 118750 | 45 | None | -173 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | nan | ||
| 644213 | 136807 | 95 | None | 63 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.5 | O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
| CHEMBL375270 | 136807 | 95 | None | 63 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.5 | O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
| 3802 | 201334 | 16 | None | 239 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 307 | 0 | 1 | 5 | 2.8 | Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2 | nan | ||
| CHEMBL63329 | 201334 | 16 | None | 239 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 307 | 0 | 1 | 5 | 2.8 | Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2 | nan | ||
| 6603781 | 21246 | 2 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 243 | 2 | 4 | 8 | -2.6 | Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 | nan | ||
| CHEMBL1315342 | 21246 | 2 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 243 | 2 | 4 | 8 | -2.6 | Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 | nan | ||
| 6603809 | 32210 | 1 | None | 7 | 2 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 586 | 4 | 8 | 12 | -1.4 | C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@@H]4[C@@H](O)C[C@]5(C)[C@H]([C@@H]6COC(=O)C6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1411296 | 32210 | 1 | None | 7 | 2 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 586 | 4 | 8 | 12 | -1.4 | C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@@H]4[C@@H](O)C[C@]5(C)[C@H]([C@@H]6COC(=O)C6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O | nan | ||
| 92766 | 106060 | 30 | None | 1 | 2 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | nan | ||
| CHEMBL31410 | 106060 | 30 | None | 1 | 2 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | nan | ||
| 6526694 | 27398 | 3 | None | -15 | 5 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 364 | 4 | 1 | 3 | 5.7 | O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1 | nan | ||
| CHEMBL1369594 | 27398 | 3 | None | -15 | 5 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 364 | 4 | 1 | 3 | 5.7 | O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1 | nan | ||
| 1795 | 1561 | 58 | None | 2 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 299 | 4 | 3 | 5 | 0.4 | CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C | nan | ||
| 4186 | 1561 | 58 | None | 2 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 299 | 4 | 3 | 5 | 0.4 | CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C | nan | ||
| CHEMBL517986 | 1561 | 58 | None | 2 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 299 | 4 | 3 | 5 | 0.4 | CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C | nan | ||
| 1359 | 2139 | 20 | None | -1 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 376 | 6 | 1 | 3 | 4.7 | CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2 | nan | ||
| 5311198 | 2139 | 20 | None | -1 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 376 | 6 | 1 | 3 | 4.7 | CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2 | nan | ||
| CHEMBL274438 | 2139 | 20 | None | -1 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 376 | 6 | 1 | 3 | 4.7 | CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2 | nan | ||
| 6603996 | 43831 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 297 | 3 | 0 | 3 | 3.3 | COc1cc2c(cc1OC)[C@H](c1ccccc1)CN(C)CC2 | nan | ||
| CHEMBL1514768 | 43831 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 297 | 3 | 0 | 3 | 3.3 | COc1cc2c(cc1OC)[C@H](c1ccccc1)CN(C)CC2 | nan | ||
| 4260 | 52278 | 28 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | nan | ||
| CHEMBL159226 | 52278 | 28 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 279 | 6 | 0 | 4 | 3.0 | CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C | nan | ||
| 6604037 | 53453 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](O)/C=C\c1cccc(C[C@H](O)CCCCO)n1 | nan | ||
| CHEMBL1603665 | 53453 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](O)/C=C\c1cccc(C[C@H](O)CCCCO)n1 | nan | ||
| 4456 | 98289 | 31 | None | -1 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 223 | 2 | 0 | 2 | 1.9 | CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1 | nan | ||
| CHEMBL278020 | 98289 | 31 | None | -1 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 223 | 2 | 0 | 2 | 1.9 | CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1 | nan | ||
| CHEMBL54126 | 98289 | 31 | None | -1 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 223 | 2 | 0 | 2 | 1.9 | CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1 | nan | ||
| 123692 | 98484 | 35 | None | 1 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 299 | 2 | 0 | 2 | 5.5 | c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1 | nan | ||
| CHEMBL1255586 | 98484 | 35 | None | 1 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 299 | 2 | 0 | 2 | 5.5 | c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1 | nan | ||
| CHEMBL279556 | 98484 | 35 | None | 1 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 299 | 2 | 0 | 2 | 5.5 | c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1 | nan | ||
| 5012 | 160206 | 45 | None | -1 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 258 | 2 | 1 | 5 | 1.6 | O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1 | nan | ||
| CHEMBL1256913 | 160206 | 45 | None | -1 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 258 | 2 | 1 | 5 | 1.6 | O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1 | nan | ||
| CHEMBL41140 | 160206 | 45 | None | -1 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 258 | 2 | 1 | 5 | 1.6 | O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1 | nan | ||
| 191 | 399 | 92 | None | -3630 | 22 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -3630 | 22 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -3630 | 22 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -3630 | 22 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -3630 | 22 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 1212 | 1632 | 45 | None | -12882 | 31 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1632 | 45 | None | -12882 | 31 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1632 | 45 | None | -12882 | 31 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1632 | 45 | None | -12882 | 31 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1632 | 45 | None | -12882 | 31 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 235 | 2527 | 36 | None | -5888 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 312 | 5 | 1 | 5 | 2.6 | COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl | nan | ||
| 5311299 | 2527 | 36 | None | -5888 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 312 | 5 | 1 | 5 | 2.6 | COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl | nan | ||
| CHEMBL286136 | 2527 | 36 | None | -5888 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 312 | 5 | 1 | 5 | 2.6 | COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl | nan | ||
| 1426 | 2575 | 59 | None | -1348 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 193 | 0 | 0 | 1 | 2.8 | Cc1cccc(n1)C#Cc1ccccc1 | nan | ||
| 3025961 | 2575 | 59 | None | -1348 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 193 | 0 | 0 | 1 | 2.8 | Cc1cccc(n1)C#Cc1ccccc1 | nan | ||
| CHEMBL66654 | 2575 | 59 | None | -1348 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 193 | 0 | 0 | 1 | 2.8 | Cc1cccc(n1)C#Cc1ccccc1 | nan | ||
| 4431 | 2689 | 18 | None | -2884 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | nan | ||
| 73 | 2689 | 18 | None | -2884 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | nan | ||
| CHEMBL8618 | 2689 | 18 | None | -2884 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | nan | ||
| 132787 | 3375 | 38 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 336 | 2 | 0 | 4 | 2.7 | C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2 | nan | ||
| 26 | 3375 | 38 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 336 | 2 | 0 | 4 | 2.7 | C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2 | nan | ||
| 32 | 3375 | 38 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 336 | 2 | 0 | 4 | 2.7 | C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2 | nan | ||
| CHEMBL49247 | 3375 | 38 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 336 | 2 | 0 | 4 | 2.7 | C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2 | nan | ||
| 2600 | 3720 | 73 | None | -407 | 16 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 2608 | 3720 | 73 | None | -407 | 16 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 5405 | 3720 | 73 | None | -407 | 16 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| CHEMBL17157 | 3720 | 73 | None | -407 | 16 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| DB00342 | 3720 | 73 | None | -407 | 16 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 260 | 3808 | 49 | None | -6 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 2775 | 3808 | 49 | None | -6 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 656665 | 3808 | 49 | None | -6 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| CHEMBL56564 | 3808 | 49 | None | -6 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| DB11699 | 3808 | 49 | None | -6 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 3121 | 7803 | 101 | None | -398 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 144 | 5 | 1 | 1 | 2.3 | CCCC(CCC)C(=O)O | nan | ||
| CHEMBL109 | 7803 | 101 | None | -398 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 144 | 5 | 1 | 1 | 2.3 | CCCC(CCC)C(=O)O | nan | ||
| CHEMBL433 | 7803 | 101 | None | -398 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 144 | 5 | 1 | 1 | 2.3 | CCCC(CCC)C(=O)O | nan | ||
| 28559746 | 9548 | 46 | None | -501 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 137 | 3 | 2 | 2 | 0.2 | CP(=O)(O)CCCN | nan | ||
| 5230 | 9548 | 46 | None | -501 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 137 | 3 | 2 | 2 | 0.2 | CP(=O)(O)CCCN | nan | ||
| CHEMBL112710 | 9548 | 46 | None | -501 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 137 | 3 | 2 | 2 | 0.2 | CP(=O)(O)CCCN | nan | ||
| 6603881 | 11165 | 20 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 328 | 7 | 1 | 2 | 4.4 | Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1179104 | 11165 | 20 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 328 | 7 | 1 | 2 | 4.4 | Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL60342 | 11165 | 20 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 328 | 7 | 1 | 2 | 4.4 | Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1 | nan | ||
| 4238 | 22754 | 80 | None | 2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 242 | 3 | 0 | 6 | 0.1 | CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1 | nan | ||
| 5353788 | 22754 | 80 | None | 2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 242 | 3 | 0 | 6 | 0.1 | CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1 | nan | ||
| 5360788 | 22754 | 80 | None | 2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 242 | 3 | 0 | 6 | 0.1 | CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1 | nan | ||
| CHEMBL1329455 | 22754 | 80 | None | 2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 242 | 3 | 0 | 6 | 0.1 | CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1 | nan | ||
| 5284425 | 30433 | 1 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 281 | 3 | 4 | 9 | -1.5 | CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O | nan | ||
| CHEMBL1394352 | 30433 | 1 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 281 | 3 | 4 | 9 | -1.5 | CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O | nan | ||
| 198107 | 30699 | 10 | None | -63 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 414 | 6 | 0 | 6 | 3.4 | COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1 | nan | ||
| CHEMBL1397935 | 30699 | 10 | None | -63 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 414 | 6 | 0 | 6 | 3.4 | COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1 | nan | ||
| 6603698 | 36235 | 1 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 386 | 6 | 5 | 10 | -0.3 | Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1 | nan | ||
| CHEMBL1447417 | 36235 | 1 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 386 | 6 | 5 | 10 | -0.3 | Nc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1 | nan | ||
| 6604741 | 36966 | 5 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 299 | 15 | 3 | 3 | 3.9 | CCCCCCCCCCCCC/C=C\[C@@H](O)[C@@H](N)CO | nan | ||
| CHEMBL1453208 | 36966 | 5 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 299 | 15 | 3 | 3 | 3.9 | CCCCCCCCCCCCC/C=C\[C@@H](O)[C@@H](N)CO | nan | ||
| 6604746 | 47886 | 1 | None | 5 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@]21C | nan | ||
| CHEMBL1551576 | 47886 | 1 | None | 5 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@]21C | nan | ||
| 6604107 | 55009 | 0 | None | -331 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 471 | 3 | 6 | 5 | 2.9 | N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@]1(CCN2CC1CC1)[C@H]3O5 | nan | ||
| CHEMBL1359159 | 55009 | 0 | None | -331 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 471 | 3 | 6 | 5 | 2.9 | N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@]1(CCN2CC1CC1)[C@H]3O5 | nan | ||
| CHEMBL1618433 | 55009 | 0 | None | -331 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 471 | 3 | 6 | 5 | 2.9 | N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@]1(CCN2CC1CC1)[C@H]3O5 | nan | ||
| 2966 | 58837 | 43 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 175 | 0 | 2 | 1 | 0.9 | N=C(N)N1CCc2ccccc2C1 | nan | ||
| CHEMBL1593558 | 58837 | 43 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 175 | 0 | 2 | 1 | 0.9 | N=C(N)N1CCc2ccccc2C1 | nan | ||
| CHEMBL169901 | 58837 | 43 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 175 | 0 | 2 | 1 | 0.9 | N=C(N)N1CCc2ccccc2C1 | nan | ||
| 275 | 64841 | 18 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 176 | 5 | 5 | 4 | -1.8 | N=C(N)NOCCC(N)C(=O)O | nan | ||
| 5256200 | 64841 | 18 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 176 | 5 | 5 | 4 | -1.8 | N=C(N)NOCCC(N)C(=O)O | nan | ||
| CHEMBL182461 | 64841 | 18 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 176 | 5 | 5 | 4 | -1.8 | N=C(N)NOCCC(N)C(=O)O | nan | ||
| 6603797 | 67676 | 3 | None | 17 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 283 | 0 | 3 | 4 | 2.6 | CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL1257041 | 67676 | 3 | None | 17 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 283 | 0 | 3 | 4 | 2.6 | CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| CHEMBL19130 | 67676 | 3 | None | 17 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 283 | 0 | 3 | 4 | 2.6 | CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 | nan | ||
| 4680 | 68521 | 44 | None | 8 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 339 | 6 | 0 | 5 | 3.9 | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | nan | ||
| CHEMBL19224 | 68521 | 44 | None | 8 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 339 | 6 | 0 | 5 | 3.9 | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | nan | ||
| CHEMBL98123 | 68521 | 44 | None | 8 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 339 | 6 | 0 | 5 | 3.9 | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | nan | ||
| 135403792 | 79225 | 26 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 305 | 2 | 5 | 6 | 1.1 | N=C(NC(=O)c1nc(Cl)c(N)nc1N)Nc1ccccc1 | nan | ||
| CHEMBL1256775 | 79225 | 26 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 305 | 2 | 5 | 6 | 1.1 | N=C(NC(=O)c1nc(Cl)c(N)nc1N)Nc1ccccc1 | nan | ||
| CHEMBL211502 | 79225 | 26 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 305 | 2 | 5 | 6 | 1.1 | N=C(NC(=O)c1nc(Cl)c(N)nc1N)Nc1ccccc1 | nan | ||
| 639540 | 93857 | 9 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
| CHEMBL250447 | 93857 | 9 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
| 440707 | 94314 | 59 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 346 | 2 | 2 | 4 | 2.8 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| CHEMBL253144 | 94314 | 59 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 346 | 2 | 2 | 4 | 2.8 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | nan | ||
| 3455 | 98765 | 35 | None | -1 | 5 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 450 | 10 | 0 | 3 | 5.3 | Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL281594 | 98765 | 35 | None | -1 | 5 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 450 | 10 | 0 | 3 | 5.3 | Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL543876 | 98765 | 35 | None | -1 | 5 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 450 | 10 | 0 | 3 | 5.3 | Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 | nan | ||
| 60703 | 99378 | 73 | None | 17 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 347 | 5 | 1 | 2 | 4.5 | OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 | nan | ||
| CHEMBL28564 | 99378 | 73 | None | 17 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 347 | 5 | 1 | 2 | 4.5 | OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 | nan | ||
| 2061 | 104289 | 49 | None | 10 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 202 | 1 | 3 | 5 | 1.2 | N#CC(C#N)=Cc1cc(O)c(O)c(O)c1 | nan | ||
| CHEMBL310798 | 104289 | 49 | None | 10 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 202 | 1 | 3 | 5 | 1.2 | N#CC(C#N)=Cc1cc(O)c(O)c(O)c1 | nan | ||
| 3277 | 120486 | 34 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 289 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C | nan | ||
| CHEMBL356388 | 120486 | 34 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 289 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C | nan | ||
| 6604117 | 187264 | 6 | None | -1 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL2062340 | 187264 | 6 | None | -1 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | nan | ||
| CHEMBL49623 | 187264 | 6 | None | -1 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 325 | 5 | 2 | 3 | 3.8 | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 | nan | ||
| 5312137 | 199780 | 55 | None | -44 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 371 | 3 | 2 | 3 | 2.6 | CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 | nan | ||
| CHEMBL605003 | 199780 | 55 | None | -44 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 371 | 3 | 2 | 3 | 2.6 | CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 | nan | ||
| CHEMBL1358057 | 206991 | 0 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | None | None | None | None | nan | ||||
| CHEMBL1394594 | 207016 | 1 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||||
| 1201549 | 590 | 22 | None | -9 | 20 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | -9 | 20 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | -9 | 20 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | -9 | 20 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | -9 | 20 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | -9 | 20 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 3604 | 4212 | 11 | None | 2238 | 3 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 202 | 7 | 0 | 0 | 2.0 | C[N+](C)(C)CCCCCC[N+](C)(C)C | nan | ||
| 5938 | 4212 | 11 | None | 2238 | 3 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 202 | 7 | 0 | 0 | 2.0 | C[N+](C)(C)CCCCCC[N+](C)(C)C | nan | ||
| CHEMBL100622 | 4212 | 11 | None | 2238 | 3 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 202 | 7 | 0 | 0 | 2.0 | C[N+](C)(C)CCCCCC[N+](C)(C)C | nan | ||
| CHEMBL105608 | 4212 | 11 | None | 2238 | 3 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 202 | 7 | 0 | 0 | 2.0 | C[N+](C)(C)CCCCCC[N+](C)(C)C | nan | ||
| 6603911 | 35366 | 1 | None | - | 1 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 171 | 4 | 3 | 3 | 0.2 | NCC[C@H]1CCC[C@H](CCN)N1 | nan | ||
| CHEMBL1439476 | 35366 | 1 | None | - | 1 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 171 | 4 | 3 | 3 | 0.2 | NCC[C@H]1CCC[C@H](CCN)N1 | nan | ||
| 6603802 | 43750 | 5 | None | - | 1 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 189 | 1 | 1 | 1 | 3.0 | C[C@H](N)c1cccc(Cl)c1Cl | nan | ||
| CHEMBL1513484 | 43750 | 5 | None | - | 1 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 189 | 1 | 1 | 1 | 3.0 | C[C@H](N)c1cccc(Cl)c1Cl | nan | ||
| 6603717 | 98376 | 41 | None | - | 1 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 272 | 1 | 1 | 3 | 2.7 | Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 | nan | ||
| CHEMBL278755 | 98376 | 41 | None | - | 1 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 272 | 1 | 1 | 3 | 2.7 | Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 | nan | ||
| 6603747 | 202510 | 3 | None | 1584 | 2 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 308 | 8 | 4 | 4 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)O | nan | ||
| CHEMBL70878 | 202510 | 3 | None | 1584 | 2 | Rat | 8.1 | pPotency | = | 8.1 | Functional | ChEMBL | 308 | 8 | 4 | 4 | 0.5 | CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)O | nan | ||
| 1231 | 924 | 112 | None | 6 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| 2756 | 924 | 112 | None | 6 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| 645 | 924 | 112 | None | 6 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| CHEMBL30 | 924 | 112 | None | 6 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| DB00501 | 924 | 112 | None | 6 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| 2045 | 2826 | 81 | None | -15 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 299 | 16 | 2 | 2 | 4.6 | CCCCCCCCCCCCCCCC(=O)NCCO | nan | ||
| 3622 | 2826 | 81 | None | -15 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 299 | 16 | 2 | 2 | 4.6 | CCCCCCCCCCCCCCCC(=O)NCCO | nan | ||
| 4671 | 2826 | 81 | None | -15 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 299 | 16 | 2 | 2 | 4.6 | CCCCCCCCCCCCCCCC(=O)NCCO | nan | ||
| CHEMBL417675 | 2826 | 81 | None | -15 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 299 | 16 | 2 | 2 | 4.6 | CCCCCCCCCCCCCCCC(=O)NCCO | nan | ||
| DB14043 | 2826 | 81 | None | -15 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 299 | 16 | 2 | 2 | 4.6 | CCCCCCCCCCCCCCCC(=O)NCCO | nan | ||
| 6604030 | 26024 | 3 | None | 158 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2 | nan | ||
| CHEMBL1357558 | 26024 | 3 | None | 158 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2 | nan | ||
| 6603831 | 27971 | 2 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 218 | 0 | 1 | 3 | 1.8 | CN1CC[C@]2(C)c3cc(O)ccc3N(C)[C@@H]12 | nan | ||
| CHEMBL1373567 | 27971 | 2 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 218 | 0 | 1 | 3 | 1.8 | CN1CC[C@]2(C)c3cc(O)ccc3N(C)[C@@H]12 | nan | ||
| 6603725 | 30593 | 1 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 480 | 11 | 3 | 4 | 4.0 | C=CCc1ccccc1OC[C@H](O)CN[C@]1(C)CCC[C@@H](C(C)(C)NC(=O)CBr)C1 | nan | ||
| CHEMBL1396528 | 30593 | 1 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 480 | 11 | 3 | 4 | 4.0 | C=CCc1ccccc1OC[C@H](O)CN[C@]1(C)CCC[C@@H](C(C)(C)NC(=O)CBr)C1 | nan | ||
| 688100 | 48607 | 5 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 183 | 3 | 3 | 4 | 0.4 | COc1cc([C@@H](O)CN)ccc1O | nan | ||
| CHEMBL1559460 | 48607 | 5 | None | - | 1 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 183 | 3 | 3 | 4 | 0.4 | COc1cc([C@@H](O)CN)ccc1O | nan | ||
| 1697 | 96815 | 55 | None | 141 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 329 | 4 | 3 | 4 | 4.1 | O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21 | nan | ||
| CHEMBL268868 | 96815 | 55 | None | 141 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 329 | 4 | 3 | 4 | 4.1 | O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21 | nan | ||
| 5289501 | 97929 | 61 | None | 141 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.3 | C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C | nan | ||
| CHEMBL275311 | 97929 | 61 | None | 141 | 2 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.3 | C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C | nan | ||
| 5472495 | 186051 | 41 | None | 44 | 4 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 372 | 4 | 1 | 3 | 4.0 | CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 | nan | ||
| CHEMBL488025 | 186051 | 41 | None | 44 | 4 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 372 | 4 | 1 | 3 | 4.0 | CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 | nan | ||
| 132496 | 201308 | 51 | None | 89 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 436 | 13 | 1 | 1 | 7.5 | CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12 | nan | ||
| CHEMBL63154 | 201308 | 51 | None | 89 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 436 | 13 | 1 | 1 | 7.5 | CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12 | nan | ||
| 1908 | 204283 | 30 | None | -4 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 336 | 2 | 2 | 7 | -0.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O | nan | ||
| CHEMBL8488 | 204283 | 30 | None | -4 | 3 | Rat | 7.1 | pPotency | = | 7.1 | Functional | ChEMBL | 336 | 2 | 2 | 7 | -0.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O | nan | ||
| 2367 | 950 | 83 | None | 2 | 5 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | nan | ||
| 6167 | 950 | 83 | None | 2 | 5 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | nan | ||
| 726 | 950 | 83 | None | 2 | 5 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | nan | ||
| CHEMBL107 | 950 | 83 | None | 2 | 5 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | nan | ||
| DB01394 | 950 | 83 | None | 2 | 5 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 399 | 5 | 1 | 6 | 2.9 | COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC | nan | ||
| 153 | 1431 | 5 | None | 1 | 2 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | nan | ||
| 6603801 | 1431 | 5 | None | 1 | 2 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | nan | ||
| CHEMBL1434583 | 1431 | 5 | None | 1 | 2 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 2.2 | COc1cc(I)c(cc1C[C@@H](N)C)OC | nan | ||
| 5281878 | 1630 | 33 | None | -1258 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 5281881 | 1630 | 33 | None | -1258 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 948 | 1630 | 33 | None | -1258 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 968 | 1630 | 33 | None | -1258 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL42055 | 1630 | 33 | None | -1258 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL54661 | 1630 | 33 | None | -1258 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00875 | 1630 | 33 | None | -1258 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 4.6 | OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 154734599 | 2467 | 8 | None | -53 | 5 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | nan | ||
| 327 | 2467 | 8 | None | -53 | 5 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | nan | ||
| 4108 | 2467 | 8 | None | -53 | 5 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | nan | ||
| CHEMBL27673 | 2467 | 8 | None | -53 | 5 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | nan | ||
| 1103 | 3590 | 90 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 202 | 11 | 4 | 4 | -0.4 | NCCCNCCCCNCCCN | nan | ||
| 710 | 3590 | 90 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 202 | 11 | 4 | 4 | -0.4 | NCCCNCCCCNCCCN | nan | ||
| CHEMBL23194 | 3590 | 90 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 202 | 11 | 4 | 4 | -0.4 | NCCCNCCCCNCCCN | nan | ||
| DB00127 | 3590 | 90 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 202 | 11 | 4 | 4 | -0.4 | NCCCNCCCCNCCCN | nan | ||
| 6603974 | 32745 | 1 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 318 | 1 | 1 | 2 | 4.6 | CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C | nan | ||
| CHEMBL1415777 | 32745 | 1 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 318 | 1 | 1 | 2 | 4.6 | CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C | nan | ||
| 6603930 | 54350 | 1 | None | -7 | 2 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 186 | 2 | 1 | 2 | 2.0 | Cc1ccccc1/C=C\C1=NCCN1 | nan | ||
| CHEMBL1611015 | 54350 | 1 | None | -7 | 2 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 186 | 2 | 1 | 2 | 2.0 | Cc1ccccc1/C=C\C1=NCCN1 | nan | ||
| 3456 | 96146 | 45 | None | 5 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 414 | 10 | 0 | 3 | 5.0 | c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL1330764 | 96146 | 45 | None | 5 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 414 | 10 | 0 | 3 | 5.0 | c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL26320 | 96146 | 45 | None | 5 | 3 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 414 | 10 | 0 | 3 | 5.0 | c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 5288600 | 186211 | 44 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 311 | 4 | 1 | 4 | 3.2 | COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1 | nan | ||
| CHEMBL489156 | 186211 | 44 | None | - | 1 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 311 | 4 | 1 | 4 | 3.2 | COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1 | nan | ||
| 1225 | 1443 | 24 | None | -177 | 11 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| 3958 | 1443 | 24 | None | -177 | 11 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| 667477 | 1443 | 24 | None | -177 | 11 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| CHEMBL860 | 1443 | 24 | None | -177 | 11 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| DB01142 | 1443 | 24 | None | -177 | 11 | Rat | 6.1 | pPotency | = | 6.1 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | nan | ||
| 1342 | 36 | 42 | None | -954 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | nan | ||
| 3 | 36 | 42 | None | -954 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | nan | ||
| CHEMBL277120 | 36 | 42 | None | -954 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 212 | 1 | 1 | 2 | 2.2 | N1CCN(CC1)c1cccc2c1cccc2 | nan | ||
| 16362 | 3076 | 67 | None | -245 | 6 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| 2172 | 3076 | 67 | None | -245 | 6 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| 90 | 3076 | 67 | None | -245 | 6 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| CHEMBL1423 | 3076 | 67 | None | -245 | 6 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| DB01100 | 3076 | 67 | None | -245 | 6 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | nan | ||
| 523 | 4043 | 90 | None | 2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | nan | ||
| 5707 | 4043 | 90 | None | 2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | nan | ||
| CHEMBL297362 | 4043 | 90 | None | 2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | nan | ||
| DB11477 | 4043 | 90 | None | 2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 220 | 1 | 1 | 3 | 3.2 | Cc1cccc(c1NC1=NCCCS1)C | nan | ||
| 135398579 | 16965 | 30 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 237 | 2 | 4 | 7 | -1.2 | C[C@H](O)C(=O)C1=Nc2c([nH]c(N)nc2=O)NC1 | nan | ||
| CHEMBL1255653 | 16965 | 30 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 237 | 2 | 4 | 7 | -1.2 | C[C@H](O)C(=O)C1=Nc2c([nH]c(N)nc2=O)NC1 | nan | ||
| 6603822 | 40851 | 25 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 301 | 16 | 3 | 3 | 4.1 | CCCCCCCCCCCCCCC[C@H](O)[C@H](N)CO | nan | ||
| CHEMBL1487948 | 40851 | 25 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 301 | 16 | 3 | 3 | 4.1 | CCCCCCCCCCCCCCC[C@H](O)[C@H](N)CO | nan | ||
| 6603965 | 43944 | 1 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 572 | 4 | 0 | 4 | 6.1 | CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@@]4(C)[C@H]3CC[C@@]12C | nan | ||
| CHEMBL1516477 | 43944 | 1 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 572 | 4 | 0 | 4 | 6.1 | CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@@]4(C)[C@H]3CC[C@@]12C | nan | ||
| 6603875 | 53286 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 303 | 4 | 1 | 1 | 3.2 | CC(C)N[C@@H](C)Cc1ccc(I)cc1 | nan | ||
| CHEMBL1602185 | 53286 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 303 | 4 | 1 | 1 | 3.2 | CC(C)N[C@@H](C)Cc1ccc(I)cc1 | nan | ||
| 91769 | 162816 | 19 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 381 | 8 | 1 | 5 | 5.2 | c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1 | nan | ||
| CHEMBL419296 | 162816 | 19 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 381 | 8 | 1 | 5 | 5.2 | c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1 | nan | ||
| 1346 | 160 | 42 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.5 | COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl | nan | ||
| 1858 | 160 | 42 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.5 | COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl | nan | ||
| CHEMBL34730 | 160 | 42 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.5 | COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl | nan | ||
| 5311064 | 1339 | 41 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | nan | ||
| 534 | 1339 | 41 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | nan | ||
| 806 | 1339 | 41 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | nan | ||
| CHEMBL493682 | 1339 | 41 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 317 | 8 | 3 | 5 | 2.3 | COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC | nan | ||
| 283 | 3081 | 47 | None | -2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | nan | ||
| 4847 | 3081 | 47 | None | -2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | nan | ||
| CHEMBL18331 | 3081 | 47 | None | -2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 393 | 5 | 0 | 5 | 3.3 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2 | nan | ||
| 2202 | 3083 | 91 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| 4850 | 3083 | 91 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| 49 | 3083 | 91 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| CHEMBL1371770 | 3083 | 91 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| DB12478 | 3083 | 91 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | nan | ||
| 122187 | 3646 | 14 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| 61 | 3646 | 14 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| CHEMBL22778 | 3646 | 14 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 265 | 5 | 1 | 2 | 3.5 | CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC | nan | ||
| 3006797 | 11952 | 2 | None | -4 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 428 | 21 | 1 | 3 | 6.3 | CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C | nan | ||
| CHEMBL1183559 | 11952 | 2 | None | -4 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 428 | 21 | 1 | 3 | 6.3 | CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C | nan | ||
| 10921 | 12934 | 19 | None | -173 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | nan | ||
| 2968 | 12934 | 19 | None | -173 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | nan | ||
| CHEMBL1190 | 12934 | 19 | None | -173 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | nan | ||
| 6603766 | 21394 | 6 | None | -10 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 288 | 4 | 1 | 2 | 3.6 | CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)O | nan | ||
| CHEMBL1317234 | 21394 | 6 | None | -10 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 288 | 4 | 1 | 2 | 3.6 | CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)O | nan | ||
| 6604012 | 21495 | 2 | None | 4 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 330 | 2 | 2 | 6 | 2.2 | CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CC[C@@H](O)C3 | nan | ||
| CHEMBL1318470 | 21495 | 2 | None | 4 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 330 | 2 | 2 | 6 | 2.2 | CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CC[C@@H](O)C3 | nan | ||
| 688569 | 21798 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | nan | ||
| CHEMBL1321005 | 21798 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | nan | ||
| 6604004 | 25864 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 269 | 1 | 2 | 3 | 2.7 | CN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 | nan | ||
| CHEMBL1355486 | 25864 | 2 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 269 | 1 | 2 | 3 | 2.7 | CN1CCc2cc(O)c(O)cc2[C@H](c2ccccc2)C1 | nan | ||
| 6604102 | 26670 | 13 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 451 | 4 | 1 | 9 | 1.7 | COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC | nan | ||
| CHEMBL1363589 | 26670 | 13 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 451 | 4 | 1 | 9 | 1.7 | COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC | nan | ||
| CHEMBL1609597 | 26670 | 13 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 451 | 4 | 1 | 9 | 1.7 | COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC | nan | ||
| 688441 | 27120 | 14 | None | -2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 | nan | ||
| CHEMBL1367478 | 27120 | 14 | None | -2 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 | nan | ||
| 3885 | 44231 | 88 | None | -3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 242 | 0 | 0 | 3 | 2.8 | CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O | nan | ||
| CHEMBL15192 | 44231 | 88 | None | -3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 242 | 0 | 0 | 3 | 2.8 | CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O | nan | ||
| 716126 | 44637 | 3 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 200 | 1 | 1 | 2 | 2.1 | c1ccc2c(c1)CCC[C@H]2C1=NCCN1 | nan | ||
| CHEMBL1522778 | 44637 | 3 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 200 | 1 | 1 | 2 | 2.1 | c1ccc2c(c1)CCC[C@H]2C1=NCCN1 | nan | ||
| 6604022 | 48596 | 1 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 179 | 0 | 1 | 3 | 0.1 | C[C@@H]1C(=O)N(C)C(=O)c2[nH]cnc21 | nan | ||
| CHEMBL1559319 | 48596 | 1 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 179 | 0 | 1 | 3 | 0.1 | C[C@@H]1C(=O)N(C)C(=O)c2[nH]cnc21 | nan | ||
| 6603946 | 49531 | 1 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 336 | 11 | 5 | 8 | -1.7 | N[C@H](CCC(=O)N[C@H](CSN=O)C(=O)NCC(=O)O)C(=O)O | nan | ||
| CHEMBL156747 | 49531 | 1 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 336 | 11 | 5 | 8 | -1.7 | N[C@H](CCC(=O)N[C@H](CSN=O)C(=O)NCC(=O)O)C(=O)O | nan | ||
| 3823 | 49951 | 38 | None | -26 | 13 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 49951 | 38 | None | -26 | 13 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 49951 | 38 | None | -26 | 13 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 1102 | 71100 | 82 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 145 | 7 | 3 | 3 | -0.3 | NCCCCNCCCN | nan | ||
| CHEMBL19612 | 71100 | 82 | None | 3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 145 | 7 | 3 | 3 | -0.3 | NCCCCNCCCN | nan | ||
| 3456 | 96146 | 45 | None | 5 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 414 | 10 | 0 | 3 | 5.0 | c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL1330764 | 96146 | 45 | None | 5 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 414 | 10 | 0 | 3 | 5.0 | c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL26320 | 96146 | 45 | None | 5 | 3 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 414 | 10 | 0 | 3 | 5.0 | c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 610682 | 168790 | 17 | None | 4 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | c1ccc2cc(CC3=NCCN3)ccc2c1 | nan | ||
| CHEMBL441948 | 168790 | 17 | None | 4 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 210 | 2 | 1 | 2 | 2.4 | c1ccc2cc(CC3=NCCN3)ccc2c1 | nan | ||
| 5288600 | 186211 | 44 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 311 | 4 | 1 | 4 | 3.2 | COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1 | nan | ||
| CHEMBL489156 | 186211 | 44 | None | - | 1 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 311 | 4 | 1 | 4 | 3.2 | COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1 | nan | ||
| 5770 | 203349 | 80 | None | -1 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | nan | ||
| CHEMBL772 | 203349 | 80 | None | -1 | 4 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 608 | 8 | 1 | 10 | 4.2 | COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | nan | ||
| 5196 | 205071 | 57 | None | -3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 75 | 0 | 3 | 2 | -1.5 | NNC(N)=O | nan | ||
| CHEMBL903 | 205071 | 57 | None | -3 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 75 | 0 | 3 | 2 | -1.5 | NNC(N)=O | nan | ||
| 3899 | 206039 | 115 | None | -190 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.3 | Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| CHEMBL960 | 206039 | 115 | None | -190 | 2 | Rat | 5.1 | pPotency | = | 5.1 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.3 | Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 | nan | ||
| 5723 | 105712 | 56 | None | -4 | 2 | Rat | 4.1 | pPotency | = | 4.1 | Functional | ChEMBL | 268 | 4 | 1 | 4 | 2.0 | COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F | nan | ||
| CHEMBL313842 | 105712 | 56 | None | -4 | 2 | Rat | 4.1 | pPotency | = | 4.1 | Functional | ChEMBL | 268 | 4 | 1 | 4 | 2.0 | COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F | nan | ||
| 1979 | 76973 | 66 | None | -30 | 7 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 76973 | 66 | None | -30 | 7 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 2166 | 3074 | 46 | None | -27 | 8 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3074 | 46 | None | -27 | 8 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3074 | 46 | None | -27 | 8 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3074 | 46 | None | -27 | 8 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3074 | 46 | None | -27 | 8 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 3652 | 4034 | 72 | None | -27 | 9 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4034 | 72 | None | -27 | 9 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4034 | 72 | None | -27 | 9 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4034 | 72 | None | -27 | 9 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4034 | 72 | None | -27 | 9 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 187 | 253 | 34 | None | -10 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | None | -10 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | None | -10 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | None | -10 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | None | -10 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | None | -10 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 1726 | 2461 | 12 | None | -2 | 6 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 1993 | 2461 | 12 | None | -2 | 6 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 7438 | 2461 | 12 | None | -2 | 6 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| CHEMBL978 | 2461 | 12 | None | -2 | 6 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| DB06709 | 2461 | 12 | None | -2 | 6 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 2166 | 3074 | 46 | None | -25 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3074 | 46 | None | -25 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3074 | 46 | None | -25 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3074 | 46 | None | -25 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3074 | 46 | None | -25 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 123603 | 870 | 25 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 2684 | 870 | 25 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 584 | 870 | 25 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 9658 | 870 | 25 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| CHEMBL168815 | 870 | 25 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 5831 | 214185 | 0 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 118124117 | 3987 | 4 | None | -2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 29701957 | ||
| 12305 | 3987 | 4 | None | -2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 29701957 | ||
| CHEMBL4127762 | 3987 | 4 | None | -2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 29701957 | ||
| 12304 | 3672 | 0 | None | -1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 483 | 7 | 2 | 7 | 2.4 | Fc1cc(ccc1C(=O)NCCOC)Cc1cc2c(=O)n(cnc2c(c1C)C)[C@H]1CCOC[C@@H]1O | 32337809 | ||
| 153520922 | 3672 | 0 | None | -1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 483 | 7 | 2 | 7 | 2.4 | Fc1cc(ccc1C(=O)NCCOC)Cc1cc2c(=O)n(cnc2c(c1C)C)[C@H]1CCOC[C@@H]1O | 32337809 | ||
| 118663155 | 3017 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 27275946 | ||
| 9228 | 3017 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 27275946 | ||
| CHEMBL4097569 | 3017 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 27275946 | ||
| 118124117 | 3987 | 4 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 29701957 | ||
| 12305 | 3987 | 4 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 29701957 | ||
| CHEMBL4127762 | 3987 | 4 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 432 | 5 | 2 | 6 | 3.1 | C1CC[C@@H]([C@H](C1)NC(=O)[C@H]1CN(c2ccccc2O1)Cc1ccc(cc1)n1cccn1)O | 29701957 | ||
| 12303 | 3675 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 433 | 5 | 2 | 8 | 2.1 | Cn1nnc(c1)c1ccc(cc1)Cc1c2c(nc(c1)C(=O)N[C@H]1CCOC[C@@H]1O)cco2 | 31374156 | ||
| 142503719 | 3675 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 433 | 5 | 2 | 8 | 2.1 | Cn1nnc(c1)c1ccc(cc1)Cc1c2c(nc(c1)C(=O)N[C@H]1CCOC[C@@H]1O)cco2 | 31374156 | ||
| 3008304 | 3960 | 48 | None | -1 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 19438238 | ||
| 7632 | 3960 | 48 | None | -1 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 19438238 | ||
| CHEMBL523685 | 3960 | 48 | None | -1 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 19438238 | ||
| 44475955 | 2529 | 12 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 505 | 6 | 1 | 6 | 4.3 | Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F | 23173069 | ||
| 5437 | 2529 | 12 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 505 | 6 | 1 | 6 | 4.3 | Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F | 23173069 | ||
| CHEMBL1357815 | 2529 | 12 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 505 | 6 | 1 | 6 | 4.3 | Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F | 23173069 | ||
| 1726 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| 1726 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| 1993 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| 1993 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| 7438 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| 7438 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| CHEMBL978 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| CHEMBL978 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| DB06709 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| DB06709 | 2461 | 12 | None | -2 | 6 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| 12304 | 3672 | 0 | None | 1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 483 | 7 | 2 | 7 | 2.4 | Fc1cc(ccc1C(=O)NCCOC)Cc1cc2c(=O)n(cnc2c(c1C)C)[C@H]1CCOC[C@@H]1O | 32337809 | ||
| 153520922 | 3672 | 0 | None | 1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 483 | 7 | 2 | 7 | 2.4 | Fc1cc(ccc1C(=O)NCCOC)Cc1cc2c(=O)n(cnc2c(c1C)C)[C@H]1CCOC[C@@H]1O | 32337809 | ||
| 25195463 | 545 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 392 | 3 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)N[C@@H]2[C@@H]1CCCC2 | None | ||
| 25221108 | 545 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 392 | 3 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)N[C@@H]2[C@@H]1CCCC2 | None | ||
| 7822 | 545 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 392 | 3 | 1 | 4 | 2.8 | CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)N[C@@H]2[C@@H]1CCCC2 | None | ||
| 288 | 249 | 0 | None | -4 | 5 | Human | 5.0 | pEC50 | None | 5 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6979053 | 249 | 0 | None | -4 | 5 | Human | 5.0 | pEC50 | None | 5 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 286 | 250 | 0 | None | -7 | 5 | Human | 5.4 | pEC50 | None | 5.4 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6954180 | 250 | 0 | None | -7 | 5 | Human | 5.4 | pEC50 | None | 5.4 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 10918 | 2865 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 361 | 2 | 1 | 6 | 1.5 | CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C | None | ||
| 1981 | 2865 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 361 | 2 | 1 | 6 | 1.5 | CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C | None | ||
| 4583 | 2865 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 361 | 2 | 1 | 6 | 1.5 | CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C | None | ||
| CHEMBL4 | 2865 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 361 | 2 | 1 | 6 | 1.5 | CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C | None | ||
| DB01165 | 2865 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Drug Central | 361 | 2 | 1 | 6 | 1.5 | CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C | None | ||
| 20824 | 215965 | 0 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 378 | 5 | 3 | 5 | 0.5 | CC1(C)S[C@@H]2[C@H](NC(=O)C(C(O)=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O | None | ||
| 18381 | 215975 | 0 | None | -1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 469 | 4 | 2 | 6 | 3.2 | CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl | None | ||
| 2895 | 201898 | 35 | None | 8 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | None | ||
| CHEMBL669 | 201898 | 35 | None | 8 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | None | ||
| 135398737 | 944 | 89 | None | -7 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | None | -7 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | None | -7 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | None | -7 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | None | -7 | 36 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 11693 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 11693 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 3494 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 3494 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 4302 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 4302 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 7459 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 7459 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| CHEMBL1201335 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| CHEMBL1201335 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| DB00986 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| DB00986 | 1797 | 12 | None | 1 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 11434515 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| 11434515 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 11519741 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| 11519741 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 4484 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| 4484 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 7449 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| 7449 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| CHEMBL1194325 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| CHEMBL1194325 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| DB08897 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| DB08897 | 259 | 3 | None | 1 | 5 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 1935 | 3677 | 92 | None | -2 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| 2551 | 3677 | 92 | None | -2 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| 6687 | 3677 | 92 | None | -2 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| CHEMBL95 | 3677 | 92 | None | -2 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| DB00382 | 3677 | 92 | None | -2 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| 154059 | 3580 | 49 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| 2457 | 3580 | 49 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| 7483 | 3580 | 49 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| CHEMBL1734 | 3580 | 49 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| DB01591 | 3580 | 49 | None | 1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| 334 | 234 | 21 | None | -30 | 4 | Rat | 5.9 | pIC50 | None | 5.9 | Functional | Guide to Pharmacology | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 16959945 | ||
| 9928284 | 234 | 21 | None | -30 | 4 | Rat | 5.9 | pIC50 | None | 5.9 | Functional | Guide to Pharmacology | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 16959945 | ||
| CHEMBL2022960 | 234 | 21 | None | -30 | 4 | Rat | 5.9 | pIC50 | None | 5.9 | Functional | Guide to Pharmacology | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 16959945 | ||
| 135409468 | 2004 | 63 | None | -3 | 5 | Rat | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 16959945 | ||
| 333 | 2004 | 63 | None | -3 | 5 | Rat | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 16959945 | ||
| CHEMBL845 | 2004 | 63 | None | -3 | 5 | Rat | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 16959945 | ||
| 135409468 | 2004 | 63 | None | 3 | 5 | Human | 7.3 | pIC50 | None | 7.3 | Functional | Guide to Pharmacology | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 14595031 | ||
| 333 | 2004 | 63 | None | 3 | 5 | Human | 7.3 | pIC50 | None | 7.3 | Functional | Guide to Pharmacology | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 14595031 | ||
| CHEMBL845 | 2004 | 63 | None | 3 | 5 | Human | 7.3 | pIC50 | None | 7.3 | Functional | Guide to Pharmacology | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 14595031 | ||
| 135398737 | 944 | 89 | None | -28 | 36 | Rat | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 16959945 | ||
| 38 | 944 | 89 | None | -28 | 36 | Rat | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 16959945 | ||
| 722 | 944 | 89 | None | -28 | 36 | Rat | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 16959945 | ||
| CHEMBL42 | 944 | 89 | None | -28 | 36 | Rat | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 16959945 | ||
| DB00363 | 944 | 89 | None | -28 | 36 | Rat | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 16959945 | ||
| 135398737 | 944 | 89 | None | -7 | 36 | Human | 7.9 | pIC50 | None | 7.9 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 14595031 | ||
| 38 | 944 | 89 | None | -7 | 36 | Human | 7.9 | pIC50 | None | 7.9 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 14595031 | ||
| 722 | 944 | 89 | None | -7 | 36 | Human | 7.9 | pIC50 | None | 7.9 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 14595031 | ||
| CHEMBL42 | 944 | 89 | None | -7 | 36 | Human | 7.9 | pIC50 | None | 7.9 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 14595031 | ||
| DB00363 | 944 | 89 | None | -7 | 36 | Human | 7.9 | pIC50 | None | 7.9 | Functional | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 14595031 | ||
| 17865255 | 706 | 0 | None | - | 1 | Human | 4.4 | pKB | = | 4.4 | Functional | Guide to Pharmacology | 279 | 3 | 2 | 2 | 2.8 | OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2 | 19717450 | ||
| 17865255 | 706 | 0 | None | - | 1 | Human | 4.4 | pKB | = | 4.4 | Functional | Guide to Pharmacology | 279 | 3 | 2 | 2 | 2.8 | OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2 | 22086918 | ||
| 17865255 | 706 | 0 | None | - | 1 | Human | 4.4 | pKB | = | 4.4 | Functional | Guide to Pharmacology | 279 | 3 | 2 | 2 | 2.8 | OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2 | 24443568 | ||
| 17865255 | 706 | 0 | None | - | 1 | Human | 4.4 | pKB | = | 4.4 | Functional | Guide to Pharmacology | 279 | 3 | 2 | 2 | 2.8 | OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2 | 25326383 | ||
| 5436 | 706 | 0 | None | - | 1 | Human | 4.4 | pKB | = | 4.4 | Functional | Guide to Pharmacology | 279 | 3 | 2 | 2 | 2.8 | OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2 | 19717450 | ||
| 5436 | 706 | 0 | None | - | 1 | Human | 4.4 | pKB | = | 4.4 | Functional | Guide to Pharmacology | 279 | 3 | 2 | 2 | 2.8 | OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2 | 22086918 | ||
| 5436 | 706 | 0 | None | - | 1 | Human | 4.4 | pKB | = | 4.4 | Functional | Guide to Pharmacology | 279 | 3 | 2 | 2 | 2.8 | OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2 | 24443568 | ||
| 5436 | 706 | 0 | None | - | 1 | Human | 4.4 | pKB | = | 4.4 | Functional | Guide to Pharmacology | 279 | 3 | 2 | 2 | 2.8 | OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2 | 25326383 | ||
| 46196414 | 591 | 0 | None | - | 1 | Human | 6.6 | pKB | = | 6.6 | Functional | Guide to Pharmacology | 465 | 4 | 1 | 7 | 4.4 | O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)c1cnn(c1)C | 25326383 | ||
| 8549 | 591 | 0 | None | - | 1 | Human | 6.6 | pKB | = | 6.6 | Functional | Guide to Pharmacology | 465 | 4 | 1 | 7 | 4.4 | O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)c1cnn(c1)C | 25326383 | ||
| CHEMBL4099735 | 591 | 0 | None | - | 1 | Human | 6.6 | pKB | = | 6.6 | Functional | Guide to Pharmacology | 465 | 4 | 1 | 7 | 4.4 | O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)c1cnn(c1)C | 25326383 | ||
| 6433090 | 216025 | 0 | None | 1 | 2 | Human | 8.1 | pKb | = | 8.1 | Functional | Drug Central | 319 | 6 | 1 | 3 | 3.1 | CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1 | None | ||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 118719927 | 115281 | 0 | None | -3 | 8 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115281 | 0 | None | -3 | 8 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 118719926 | 115280 | 0 | None | -107 | 8 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115280 | 0 | None | -107 | 8 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 9815409 | 12258 | 17 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 180 | 2 | 1 | 5 | 0.3 | CCc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL1185481 | 12258 | 17 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 180 | 2 | 1 | 5 | 0.3 | CCc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL416736 | 12258 | 17 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 180 | 2 | 1 | 5 | 0.3 | CCc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| 14235519 | 16379 | 8 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 179 | 1 | 0 | 4 | 1.1 | Cc1noc(C2=CCCN(C)C2)n1 | 10.1021/jm960467d | ||
| CHEMBL12378 | 16379 | 8 | None | - | 1 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 179 | 1 | 0 | 4 | 1.1 | Cc1noc(C2=CCCN(C)C2)n1 | 10.1021/jm960467d | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 10261985 | 202251 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL69306 | 202251 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 10727260 | 11883 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 212 | 3 | 1 | 6 | 0.6 | CSCc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL1183133 | 11883 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 212 | 3 | 1 | 6 | 0.6 | CSCc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL281411 | 11883 | 0 | None | - | 0 | Mouse | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 212 | 3 | 1 | 6 | 0.6 | CSCc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| 647412 | 27112 | 9 | None | - | 0 | Rat | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | ||
| CHEMBL1367424 | 27112 | 9 | None | - | 0 | Rat | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 90644381 | 111641 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 414 | 5 | 2 | 4 | 3.1 | O=C(CBr)Nc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500556a | ||
| CHEMBL3290086 | 111641 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 414 | 5 | 2 | 4 | 3.1 | O=C(CBr)Nc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500556a | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 71570775 | 87048 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333871 | 87048 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570775 | 87048 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333871 | 87048 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 118719922 | 115275 | 0 | None | -1 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115275 | 0 | None | -1 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 1476756 | 200304 | 62 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500556a | ||
| CHEMBL608112 | 200304 | 62 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500556a | ||
| 1476756 | 200304 | 62 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500556a | ||
| CHEMBL608112 | 200304 | 62 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500556a | ||
| 10465280 | 102312 | 1 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 196 | 2 | 1 | 4 | 1.5 | CC(C)Oc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL305264 | 102312 | 1 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 196 | 2 | 1 | 4 | 1.5 | CC(C)Oc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 118719922 | 115275 | 0 | None | -1 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115275 | 0 | None | -1 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 139414008 | 163809 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4212760 | 163809 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 117937668 | 173565 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.1 | COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc32)cc1 | 10.1021/acs.jmedchem.8b00875 | ||
| CHEMBL4546244 | 173565 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.1 | COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc32)cc1 | 10.1021/acs.jmedchem.8b00875 | ||
| 71718834 | 86966 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 426 | 4 | 0 | 4 | 4.5 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333481 | 86966 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 426 | 4 | 0 | 4 | 4.5 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71718834 | 86966 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 426 | 4 | 0 | 4 | 4.5 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333481 | 86966 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 426 | 4 | 0 | 4 | 4.5 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 137640201 | 156419 | 2 | None | -288 | 13 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156419 | 2 | None | -288 | 13 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 71568899 | 86963 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333477 | 86963 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71599959 | 87051 | 7 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C4(OCCO4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333875 | 87051 | 7 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C4(OCCO4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 118719921 | 115274 | 0 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354067 | 115274 | 0 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 71568899 | 86963 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333477 | 86963 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71599959 | 87051 | 7 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C4(OCCO4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333875 | 87051 | 7 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C4(OCCO4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 118719926 | 115280 | 0 | None | -107 | 8 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115280 | 0 | None | -107 | 8 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 145982741 | 164882 | 3 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 465 | 5 | 2 | 6 | 3.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4c(F)cc(F)cc43)cn2)cn1 | 10.1021/acs.jmedchem.8b00875 | ||
| CHEMBL4238861 | 164882 | 3 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 465 | 5 | 2 | 6 | 3.8 | Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4c(F)cc(F)cc43)cn2)cn1 | 10.1021/acs.jmedchem.8b00875 | ||
| 118719927 | 115281 | 0 | None | -3 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115281 | 0 | None | -3 | 8 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 71571209 | 86961 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 454 | 4 | 0 | 6 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(c5ncccn5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333472 | 86961 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 454 | 4 | 0 | 6 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(c5ncccn5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71571209 | 86961 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 454 | 4 | 0 | 6 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(c5ncccn5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333472 | 86961 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 454 | 4 | 0 | 6 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(c5ncccn5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 25010776 | 55664 | 1 | None | - | 0 | Rat | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| CHEMBL1559151 | 55664 | 1 | None | - | 0 | Rat | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| CHEMBL1624037 | 55664 | 1 | None | - | 0 | Rat | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| 10226457 | 12866 | 0 | None | 3 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1189471 | 12866 | 0 | None | 3 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL538793 | 12866 | 0 | None | 3 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 71455951 | 83443 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm201348t | ||
| CHEMBL2206333 | 83443 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm201348t | ||
| 71555066 | 140433 | 12 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823130 | 140433 | 12 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1 | 10.1016/j.bmcl.2016.04.083 | ||
| 71568900 | 86964 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 462 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333478 | 86964 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 462 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 71568900 | 86964 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 462 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333478 | 86964 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 462 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 24964946 | 198484 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 391 | 4 | 1 | 3 | 4.7 | O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)ccc(F)c2c1=O | 10.1021/jm201139r | ||
| CHEMBL596508 | 198484 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 391 | 4 | 1 | 3 | 4.7 | O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)ccc(F)c2c1=O | 10.1021/jm201139r | ||
| 302 | 2929 | 23 | None | - | 7 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm960467d | ||
| 4630 | 2929 | 23 | None | - | 7 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm960467d | ||
| CHEMBL7634 | 2929 | 23 | None | - | 7 | Mouse | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm960467d | ||
| 2230 | 461 | 55 | None | 75 | 10 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| 296 | 461 | 55 | None | 75 | 10 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| CHEMBL7303 | 461 | 55 | None | 75 | 10 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| DB04365 | 461 | 55 | None | 75 | 10 | Mouse | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| 71570627 | 87046 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333865 | 87046 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570627 | 87046 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333865 | 87046 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| 644390 | 40171 | 6 | None | - | 0 | Rat | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | ||
| CHEMBL1482157 | 40171 | 6 | None | - | 0 | Rat | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | ||
| 118719928 | 115282 | 0 | None | -1 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115282 | 0 | None | -1 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 71571210 | 86962 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 5.0 | Cc1nn(C)cc1-c1ccc(CN2C(=O)C3(CCN(C4CCCC4)C3)c3ccccc32)c(F)c1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333473 | 86962 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 5.0 | Cc1nn(C)cc1-c1ccc(CN2C(=O)C3(CCN(C4CCCC4)C3)c3ccccc32)c(F)c1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71571210 | 86962 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 5.0 | Cc1nn(C)cc1-c1ccc(CN2C(=O)C3(CCN(C4CCCC4)C3)c3ccccc32)c(F)c1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333473 | 86962 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 5.0 | Cc1nn(C)cc1-c1ccc(CN2C(=O)C3(CCN(C4CCCC4)C3)c3ccccc32)c(F)c1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570775 | 87048 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333871 | 87048 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 118724589 | 115948 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 526 | 7 | 1 | 9 | 3.5 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(-c4cnn(C)c4)nc3)c3cc(F)cc(F)c23)no1 | 10.1021/acs.jmedchem.8b00875 | ||
| CHEMBL3360927 | 115948 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 526 | 7 | 1 | 9 | 3.5 | Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(-c4cnn(C)c4)nc3)c3cc(F)cc(F)c23)no1 | 10.1021/acs.jmedchem.8b00875 | ||
| 71570775 | 87048 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333871 | 87048 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 444 | 4 | 0 | 4 | 4.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 90644379 | 111639 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 361 | 4 | 1 | 5 | 2.4 | O=C(O)c1cn(Cc2ccc(S(=O)(=O)F)cc2)c2ccccc2c1=O | 10.1021/jm500556a | ||
| CHEMBL3290084 | 111639 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 361 | 4 | 1 | 5 | 2.4 | O=C(O)c1cn(Cc2ccc(S(=O)(=O)F)cc2)c2ccccc2c1=O | 10.1021/jm500556a | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 9909908 | 13408 | 0 | None | -3 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL1193635 | 13408 | 0 | None | -3 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL545077 | 13408 | 0 | None | -3 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| 2230 | 461 | 55 | None | -89 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| 296 | 461 | 55 | None | -89 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| CHEMBL7303 | 461 | 55 | None | -89 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| DB04365 | 461 | 55 | None | -89 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| 71599959 | 87051 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C4(OCCO4)c4ccccc43)c(F)c2)cn1 | 10.1021/ml400279j | ||
| CHEMBL2333875 | 87051 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C4(OCCO4)c4ccccc43)c(F)c2)cn1 | 10.1021/ml400279j | ||
| 71570919 | 86967 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 404 | 4 | 0 | 4 | 3.7 | CCN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333482 | 86967 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 404 | 4 | 0 | 4 | 3.7 | CCN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570627 | 87046 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333865 | 87046 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570919 | 86967 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 404 | 4 | 0 | 4 | 3.7 | CCN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333482 | 86967 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 404 | 4 | 0 | 4 | 3.7 | CCN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570627 | 87046 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333865 | 87046 | 7 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| 124300908 | 13083 | 5 | None | - | 1 | Mouse | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 2606 | 13083 | 5 | None | - | 1 | Mouse | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1191029 | 13083 | 5 | None | - | 1 | Mouse | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL542065 | 13083 | 5 | None | - | 1 | Mouse | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 650899 | 54129 | 10 | None | - | 0 | Rat | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL1535797 | 54129 | 10 | None | - | 0 | Rat | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL1609153 | 54129 | 10 | None | - | 0 | Rat | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| 118663155 | 3017 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| 9228 | 3017 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4097569 | 3017 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| 24965292 | 198482 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 4.6 | O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)cccc2c1=O | 10.1021/jm201139r | ||
| CHEMBL596506 | 198482 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 4.6 | O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)cccc2c1=O | 10.1021/jm201139r | ||
| 71570627 | 87046 | 7 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1021/ml400279j | ||
| CHEMBL2333865 | 87046 | 7 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.3 | CN1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1021/ml400279j | ||
| 71570630 | 87047 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.7 | CN1CCC2(CC1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333868 | 87047 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.7 | CN1CCC2(CC1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570630 | 87047 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.7 | CN1CCC2(CC1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333868 | 87047 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.7 | CN1CCC2(CC1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 | 10.1016/j.bmcl.2013.01.017 | ||
| 90644382 | 111642 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 336 | 4 | 1 | 5 | 3.5 | O=C(O)c1cn(Cc2ccc(N=C=S)cc2)c2ccccc2c1=O | 10.1021/jm500556a | ||
| CHEMBL3290087 | 111642 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 336 | 4 | 1 | 5 | 3.5 | O=C(O)c1cn(Cc2ccc(N=C=S)cc2)c2ccccc2c1=O | 10.1021/jm500556a | ||
| 302 | 2929 | 23 | None | 3 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| 4630 | 2929 | 23 | None | 3 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| CHEMBL7634 | 2929 | 23 | None | 3 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| 118663155 | 3017 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| 9228 | 3017 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| CHEMBL4097569 | 3017 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 409 | 5 | 2 | 6 | 3.0 | O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C | 10.1021/acs.jmedchem.6b00544 | ||
| 11071537 | 26291 | 0 | None | -125 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL136027 | 26291 | 0 | None | -125 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 2551 | 782 | 23 | None | 3 | 11 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 298 | 782 | 23 | None | 3 | 11 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 488 | 782 | 23 | None | 3 | 11 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| CHEMBL965 | 782 | 23 | None | 3 | 11 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| DB00411 | 782 | 23 | None | 3 | 11 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 71569052 | 86965 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 462 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333480 | 86965 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 462 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570920 | 86968 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 422 | 5 | 0 | 4 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(CCF)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333483 | 86968 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 422 | 5 | 0 | 4 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(CCF)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 24967069 | 76267 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 395 | 4 | 1 | 5 | 3.4 | Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)c(F)c2)cn1 | 10.1021/jm201139r | ||
| CHEMBL2063422 | 76267 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 395 | 4 | 1 | 5 | 3.4 | Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)c(F)c2)cn1 | 10.1021/jm201139r | ||
| 118719922 | 115275 | 0 | None | -1 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115275 | 0 | None | -1 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 71569052 | 86965 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 462 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333480 | 86965 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 462 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2cc(F)c(CN3C(=O)C4(CCN(C5CCCC5)C4)c4ccccc43)cc2F)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570920 | 86968 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 422 | 5 | 0 | 4 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(CCF)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333483 | 86968 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 422 | 5 | 0 | 4 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(CCF)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 10012139 | 13598 | 10 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 156 | 1 | 1 | 4 | -0.1 | COC(=O)C1CCC(N)=NC1 | 10.1021/jm960467d | ||
| CHEMBL1194965 | 13598 | 10 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 156 | 1 | 1 | 4 | -0.1 | COC(=O)C1CCC(N)=NC1 | 10.1021/jm960467d | ||
| CHEMBL553602 | 13598 | 10 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 156 | 1 | 1 | 4 | -0.1 | COC(=O)C1CCC(N)=NC1 | 10.1021/jm960467d | ||
| 90644380 | 111640 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 374 | 4 | 1 | 5 | 2.2 | O=C(O)c1cn(Cc2ccc(N3C(=O)C=CC3=O)cc2)c2ccccc2c1=O | 10.1021/jm500556a | ||
| CHEMBL3290085 | 111640 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 374 | 4 | 1 | 5 | 2.2 | O=C(O)c1cn(Cc2ccc(N3C(=O)C=CC3=O)cc2)c2ccccc2c1=O | 10.1021/jm500556a | ||
| 92209180 | 13042 | 7 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 156 | 2 | 1 | 4 | -0.2 | CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 9793884 | 13042 | 7 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 156 | 2 | 1 | 4 | -0.2 | CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1190710 | 13042 | 7 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 156 | 2 | 1 | 4 | -0.2 | CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL541398 | 13042 | 7 | None | - | 0 | Mouse | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 156 | 2 | 1 | 4 | -0.2 | CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 10442081 | 102135 | 9 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL304142 | 102135 | 9 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 71571064 | 87045 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 486 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C(=O)C5CCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333863 | 87045 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 486 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C(=O)C5CCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 10607458 | 13082 | 1 | None | - | 1 | Mouse | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 180 | 2 | 1 | 4 | -0.2 | CC#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1191028 | 13082 | 1 | None | - | 1 | Mouse | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 180 | 2 | 1 | 4 | -0.2 | CC#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL542064 | 13082 | 1 | None | - | 1 | Mouse | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 180 | 2 | 1 | 4 | -0.2 | CC#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 71571064 | 87045 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 486 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C(=O)C5CCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333863 | 87045 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 486 | 4 | 0 | 4 | 4.8 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C(=O)C5CCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570776 | 87049 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 5.0 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333872 | 87049 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 5.0 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570776 | 87049 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 5.0 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333872 | 87049 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 5.0 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 9308 | 17572 | 16 | None | -10 | 7 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL1255785 | 17572 | 16 | None | -10 | 7 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL12587 | 17572 | 16 | None | -10 | 7 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL292911 | 17572 | 16 | None | -10 | 7 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | ||
| 170332 | 160429 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 170332 | 160429 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 9838581 | 11872 | 2 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL1183042 | 11872 | 2 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL277014 | 11872 | 2 | None | - | 1 | Mouse | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| 3652 | 4034 | 72 | None | - | 18 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm960467d | ||
| 57 | 4034 | 72 | None | - | 18 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm960467d | ||
| 60809 | 4034 | 72 | None | - | 18 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm960467d | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm960467d | ||
| DB15357 | 4034 | 72 | None | - | 18 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm960467d | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 44251556 | 6531 | 7 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL1083203 | 6531 | 7 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 3008304 | 3960 | 48 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm201139r | ||
| 7632 | 3960 | 48 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm201139r | ||
| CHEMBL523685 | 3960 | 48 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm201139r | ||
| 44251556 | 6531 | 7 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL1083203 | 6531 | 7 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 101882890 | 115276 | 0 | None | 1 | 5 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115276 | 0 | None | 1 | 5 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 9913341 | 81746 | 3 | None | -14 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL216927 | 81746 | 3 | None | -14 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL553058 | 81746 | 3 | None | -14 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 10109893 | 81753 | 0 | None | 1 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL216983 | 81753 | 0 | None | 1 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL544840 | 81753 | 0 | None | 1 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0301235 | ||
| 71571063 | 87044 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 4.0 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C(=O)C5CCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333862 | 87044 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 4.0 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C(=O)C5CCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 10135703 | 13310 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 401 | 15 | 0 | 9 | 1.7 | CCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1192846 | 13310 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 401 | 15 | 0 | 9 | 1.7 | CCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL544152 | 13310 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 401 | 15 | 0 | 9 | 1.7 | CCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 71571063 | 87044 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 4.0 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C(=O)C5CCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333862 | 87044 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 458 | 4 | 0 | 4 | 4.0 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C(=O)C5CCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 14925759 | 157494 | 6 | None | -1479 | 13 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 157494 | 6 | None | -1479 | 13 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 118719927 | 115281 | 0 | None | -3 | 8 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115281 | 0 | None | -3 | 8 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 2166 | 3074 | 46 | None | - | 8 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm960467d | ||
| 305 | 3074 | 46 | None | - | 8 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm960467d | ||
| 5910 | 3074 | 46 | None | - | 8 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm960467d | ||
| CHEMBL550 | 3074 | 46 | None | - | 8 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm960467d | ||
| DB01085 | 3074 | 46 | None | - | 8 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm960467d | ||
| 9809330 | 115499 | 0 | None | -8 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| CHEMBL335542 | 115499 | 0 | None | -8 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| 303 | 2930 | 16 | None | - | 6 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm960467d | ||
| 4629 | 2930 | 16 | None | - | 6 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm960467d | ||
| 8595 | 2930 | 16 | None | - | 6 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm960467d | ||
| CHEMBL44674 | 2930 | 16 | None | - | 6 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm960467d | ||
| 303 | 2930 | 16 | None | -144 | 6 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 4629 | 2930 | 16 | None | -144 | 6 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 8595 | 2930 | 16 | None | -144 | 6 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL44674 | 2930 | 16 | None | -144 | 6 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 71570777 | 87050 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 0 | 4 | 5.4 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333873 | 87050 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 0 | 4 | 5.4 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 71570777 | 87050 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 0 | 4 | 5.4 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| CHEMBL2333873 | 87050 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 0 | 4 | 5.4 | Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCCC5)C4)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.01.017 | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 10774661 | 13191 | 0 | None | - | 0 | Mouse | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 206 | 3 | 1 | 4 | 0.4 | C#C/C(C)=C/COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1191873 | 13191 | 0 | None | - | 0 | Mouse | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 206 | 3 | 1 | 4 | 0.4 | C#C/C(C)=C/COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL543030 | 13191 | 0 | None | - | 0 | Mouse | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 206 | 3 | 1 | 4 | 0.4 | C#C/C(C)=C/COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 1476756 | 200304 | 62 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm201139r | ||
| CHEMBL608112 | 200304 | 62 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm201139r | ||
| 44251556 | 6531 | 7 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1021/jm201139r | ||
| CHEMBL1083203 | 6531 | 7 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1021/jm201139r | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 24965294 | 198483 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 4.6 | O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccc(F)c2c1=O | 10.1021/jm201139r | ||
| CHEMBL596507 | 198483 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 4.6 | O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccc(F)c2c1=O | 10.1021/jm201139r | ||
| 118719927 | 115281 | 0 | None | -3 | 8 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115281 | 0 | None | -3 | 8 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 101882890 | 115276 | 0 | None | 1 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115276 | 0 | None | 1 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 170332 | 160429 | 1 | None | -3 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -3 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -3 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 170332 | 160429 | 1 | None | -3 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -3 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -3 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 53382542 | 85886 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313377 | 85886 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 10442337 | 202250 | 2 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL69305 | 202250 | 2 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 86298473 | 140494 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| CHEMBL3823885 | 140494 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 403 | 3 | 0 | 6 | 3.7 | Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 | 10.1016/j.bmcl.2016.04.083 | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| 11434515 | 259 | 3 | None | -8 | 5 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 11519741 | 259 | 3 | None | -8 | 5 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 4484 | 259 | 3 | None | -8 | 5 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 7449 | 259 | 3 | None | -8 | 5 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1194325 | 259 | 3 | None | -8 | 5 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| DB08897 | 259 | 3 | None | -8 | 5 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 11693 | 1797 | 12 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 3494 | 1797 | 12 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 4302 | 1797 | 12 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 7459 | 1797 | 12 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1201335 | 1797 | 12 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| DB00986 | 1797 | 12 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 11434515 | 259 | 3 | None | -8 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 11519741 | 259 | 3 | None | -8 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 4484 | 259 | 3 | None | -8 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 7449 | 259 | 3 | None | -8 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| CHEMBL1194325 | 259 | 3 | None | -8 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| DB08897 | 259 | 3 | None | -8 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 11852298 | 13912 | 0 | None | 1 | 3 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1197251 | 13912 | 0 | None | 1 | 3 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL564057 | 13912 | 0 | None | 1 | 3 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 10143956 | 13798 | 0 | None | -1 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL1196359 | 13798 | 0 | None | -1 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL556635 | 13798 | 0 | None | -1 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 15678855 | 167682 | 0 | None | - | 0 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 684 | 15 | 3 | 8 | 6.8 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCCCCCNC(=S)Nc3cccc(N=C=S)c3)CC2)c2ccccc21 | 10.1016/S0960-894X(00)80542-9 | ||
| CHEMBL433722 | 167682 | 0 | None | - | 0 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 684 | 15 | 3 | 8 | 6.8 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCCCCCNC(=S)Nc3cccc(N=C=S)c3)CC2)c2ccccc21 | 10.1016/S0960-894X(00)80542-9 | ||
| 44233403 | 13788 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1196247 | 13788 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL556222 | 13788 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| 44232931 | 194707 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 2.8 | O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL562642 | 194707 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 2.8 | O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 44232927 | 193667 | 7 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 349 | 4 | 1 | 6 | 2.7 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL551729 | 193667 | 7 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 349 | 4 | 1 | 6 | 2.7 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 44232930 | 195018 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 343 | 4 | 1 | 5 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL564747 | 195018 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 343 | 4 | 1 | 5 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 44233401 | 13513 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1 | 10.1021/jm900132z | ||
| CHEMBL1194321 | 13513 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1 | 10.1021/jm900132z | ||
| CHEMBL551327 | 13513 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1 | 10.1021/jm900132z | ||
| 44233173 | 13906 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 486 | 7 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197216 | 13906 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 486 | 7 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL562890 | 13906 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 486 | 7 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 44236098 | 193975 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 343 | 4 | 1 | 5 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL556426 | 193975 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 343 | 4 | 1 | 5 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| 44236099 | 193882 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 2.8 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL554699 | 193882 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 2.8 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 44235871 | 194897 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.5 | O=C(O[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL563887 | 194897 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.5 | O=C(O[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| 44233177 | 13787 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 484 | 7 | 0 | 4 | 5.7 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1196246 | 13787 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 484 | 7 | 0 | 4 | 5.7 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL556221 | 13787 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 484 | 7 | 0 | 4 | 5.7 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 44236340 | 13680 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 5.2 | O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1195513 | 13680 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 5.2 | O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL554725 | 13680 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 5.2 | O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 44236101 | 13914 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 456 | 5 | 1 | 4 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197261 | 13914 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 456 | 5 | 1 | 4 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL564515 | 13914 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 456 | 5 | 1 | 4 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 44232683 | 13515 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| CHEMBL1194336 | 13515 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| CHEMBL551731 | 13515 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| 939077 | 193398 | 2 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL549577 | 193398 | 2 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 20735153 | 13512 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 468 | 9 | 0 | 5 | 5.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1194314 | 13512 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 468 | 9 | 0 | 5 | 5.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL551063 | 13512 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 468 | 9 | 0 | 5 | 5.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 688566 | 194210 | 21 | None | - | 3 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| CHEMBL558910 | 194210 | 21 | None | - | 3 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| 44351242 | 117557 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| CHEMBL340435 | 117557 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| 44232685 | 13915 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1197273 | 13915 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL564765 | 13915 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| 10039194 | 10026 | 1 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 277 | 5 | 0 | 4 | 3.2 | CCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL115648 | 10026 | 1 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 277 | 5 | 0 | 4 | 3.2 | CCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 10246307 | 117275 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 334 | 4 | 2 | 4 | 2.3 | O=C(N[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401643 | 117275 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 334 | 4 | 2 | 4 | 2.3 | O=C(N[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1016/j.bmcl.2015.02.065 | ||
| 9967590 | 61812 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1777826 | 61812 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 9928017 | 62010 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 342 | 4 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779033 | 62010 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 342 | 4 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 9946010 | 62011 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 342 | 4 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779034 | 62011 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 342 | 4 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10165877 | 62800 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779133 | 62800 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789396 | 62800 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10143718 | 62804 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779131 | 62804 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789435 | 62804 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 11489419 | 13507 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 448 | 10 | 1 | 5 | 5.2 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| CHEMBL1194274 | 13507 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 448 | 10 | 1 | 5 | 5.2 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| CHEMBL549784 | 13507 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 448 | 10 | 1 | 5 | 5.2 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| 44236336 | 13899 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 2.8 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| CHEMBL1197131 | 13899 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 2.8 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| CHEMBL560327 | 13899 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 2.8 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| 11569908 | 13888 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 440 | 5 | 0 | 3 | 5.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197028 | 13888 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 440 | 5 | 0 | 3 | 5.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL559106 | 13888 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 440 | 5 | 0 | 3 | 5.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 10039194 | 10026 | 1 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 277 | 5 | 0 | 4 | 3.2 | CCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL115648 | 10026 | 1 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 277 | 5 | 0 | 4 | 3.2 | CCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 1201549 | 590 | 22 | None | 1 | 20 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | 1 | 20 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | 1 | 20 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | 1 | 20 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | 1 | 20 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | 1 | 20 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 44351242 | 117557 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| CHEMBL340435 | 117557 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| 21708611 | 19272 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.5 | CCCSc1nsnc1C1CN2CCC1C2 | 10.1021/jm970125n | ||
| CHEMBL129821 | 19272 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.5 | CCCSc1nsnc1C1CN2CCC1C2 | 10.1021/jm970125n | ||
| 44232681 | 13901 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 482 | 9 | 0 | 5 | 5.7 | CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1197156 | 13901 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 482 | 9 | 0 | 5 | 5.7 | CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL561187 | 13901 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 482 | 9 | 0 | 5 | 5.7 | CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 44236332 | 13903 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 470 | 7 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197183 | 13903 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 470 | 7 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL561870 | 13903 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 470 | 7 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| 10356958 | 112892 | 1 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 291 | 6 | 0 | 4 | 3.6 | CCCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL331805 | 112892 | 1 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 291 | 6 | 0 | 4 | 3.6 | CCCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 22730942 | 17922 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| CHEMBL126846 | 17922 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| 9944783 | 62014 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 316 | 6 | 0 | 3 | 3.9 | CCCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779037 | 62014 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 316 | 6 | 0 | 3 | 3.9 | CCCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 9966959 | 62018 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.6 | CCCCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779041 | 62018 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.6 | CCCCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 10143954 | 13508 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL1194286 | 13508 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL549986 | 13508 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 11725334 | 117273 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 348 | 4 | 2 | 5 | 2.3 | O=C(N[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401641 | 117273 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 348 | 4 | 2 | 5 | 2.3 | O=C(N[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 25147683 | 62023 | 32 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 408 | 4 | 0 | 3 | 4.5 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779046 | 62023 | 32 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 408 | 4 | 0 | 3 | 4.5 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 9928160 | 11960 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.8 | CCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1183640 | 11960 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.8 | CCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308772 | 11960 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.8 | CCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10007638 | 120363 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 8 | 2 | 4 | 4.4 | O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401648 | 120363 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 8 | 2 | 4 | 4.4 | O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559195 | 120363 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 8 | 2 | 4 | 4.4 | O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 67548926 | 120365 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 473 | 8 | 2 | 5 | 4.5 | O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401649 | 120365 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 473 | 8 | 2 | 5 | 4.5 | O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559201 | 120365 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 473 | 8 | 2 | 5 | 4.5 | O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 10132599 | 62009 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779032 | 62009 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 54583840 | 62022 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 4.7 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2CN3CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779045 | 62022 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 4.7 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2CN3CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 155531961 | 175814 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 644 | 10 | 0 | 8 | 5.3 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N/c2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4466914 | 175814 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 644 | 10 | 0 | 8 | 5.3 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N/c2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4595910 | 175814 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 644 | 10 | 0 | 8 | 5.3 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N/c2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| 10356958 | 112892 | 1 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 291 | 6 | 0 | 4 | 3.6 | CCCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL331805 | 112892 | 1 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 291 | 6 | 0 | 4 | 3.6 | CCCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 9857572 | 62013 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 302 | 5 | 0 | 3 | 3.5 | CCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779036 | 62013 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 302 | 5 | 0 | 3 | 3.5 | CCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10393952 | 62799 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 529 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779140 | 62799 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 529 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789389 | 62799 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 529 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 44233175 | 13905 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197209 | 13905 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL562655 | 13905 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| 10104167 | 2028 | 1 | None | -95 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| 6937 | 2028 | 1 | None | -95 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL3121473 | 2028 | 1 | None | -95 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| 44236334 | 13898 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 468 | 7 | 0 | 3 | 5.6 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197117 | 13898 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 468 | 7 | 0 | 3 | 5.6 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL559931 | 13898 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 468 | 7 | 0 | 3 | 5.6 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| 2745 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 5572 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 66007 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 7315 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL1490 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| DB00376 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 131459 | 115511 | 11 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 269 | 5 | 0 | 5 | 3.1 | CCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL306941 | 115511 | 11 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 269 | 5 | 0 | 5 | 3.1 | CCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL335593 | 115511 | 11 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 269 | 5 | 0 | 5 | 3.1 | CCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 49800047 | 14334 | 1 | None | -3 | 5 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201024 | 14334 | 1 | None | -3 | 5 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201268 | 14334 | 1 | None | -3 | 5 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| 10403330 | 17147 | 3 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125732 | 17147 | 3 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 10164137 | 62796 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 423 | 9 | 0 | 3 | 5.1 | CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779137 | 62796 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 423 | 9 | 0 | 3 | 5.1 | CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789386 | 62796 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 423 | 9 | 0 | 3 | 5.1 | CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10187216 | 62808 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779128 | 62808 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789452 | 62808 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 15033741 | 4283 | 4 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL101054 | 4283 | 4 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL420007 | 4283 | 4 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 15033741 | 4283 | 4 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL101054 | 4283 | 4 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL420007 | 4283 | 4 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 54585743 | 62021 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 372 | 4 | 0 | 3 | 4.2 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccc(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779044 | 62021 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 372 | 4 | 0 | 3 | 4.2 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccc(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10208897 | 62797 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 455 | 8 | 0 | 2 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779049 | 62797 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 455 | 8 | 0 | 2 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789387 | 62797 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 455 | 8 | 0 | 2 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 11968014 | 12649 | 4 | None | -5 | 9 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL1187846 | 12649 | 4 | None | -5 | 9 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/acs.jmedchem.8b00265 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 10119939 | 62798 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1777827 | 62798 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789388 | 62798 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10220374 | 101920 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL303922 | 101920 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308803 | 101920 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10220374 | 101920 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL303922 | 101920 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL308803 | 101920 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 10208972 | 62802 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 457 | 8 | 0 | 3 | 5.5 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779129 | 62802 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 457 | 8 | 0 | 3 | 5.5 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789429 | 62802 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 457 | 8 | 0 | 3 | 5.5 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 131459 | 115511 | 11 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 269 | 5 | 0 | 5 | 3.1 | CCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL306941 | 115511 | 11 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 269 | 5 | 0 | 5 | 3.1 | CCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL335593 | 115511 | 11 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 269 | 5 | 0 | 5 | 3.1 | CCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 11539632 | 70217 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | ||
| CHEMBL194837 | 70217 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | ||
| 11968014 | 12649 | 4 | None | -5 | 9 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm501173q | ||
| CHEMBL1187846 | 12649 | 4 | None | -5 | 9 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm501173q | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 15180159 | 11221 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 2.4 | CCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179410 | 11221 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 2.4 | CCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL74358 | 11221 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 2.4 | CCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 11777446 | 109704 | 1 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 261 | 5 | 0 | 4 | 2.5 | CCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL323719 | 109704 | 1 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 261 | 5 | 0 | 4 | 2.5 | CCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 10335152 | 10366 | 1 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 303 | 8 | 0 | 4 | 3.6 | CCCCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL116462 | 10366 | 1 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 303 | 8 | 0 | 4 | 3.6 | CCCCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 14054142 | 59206 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.2 | CN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL17155 | 59206 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.2 | CN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 135398737 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 44333822 | 4597 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 406 | 2 | 1 | 4 | 4.8 | O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL103189 | 4597 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 406 | 2 | 1 | 4 | 4.8 | O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 10048670 | 106972 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 436 | 4 | 1 | 5 | 4.3 | O=C1Nc2cccnc2N(C(=O)CSCC2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL318316 | 106972 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 436 | 4 | 1 | 5 | 4.3 | O=C1Nc2cccnc2N(C(=O)CSCC2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 44380435 | 58471 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 310 | 6 | 1 | 4 | 4.0 | CCCc1cc(NC2CCCN2CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL168753 | 58471 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 310 | 6 | 1 | 4 | 4.0 | CCCc1cc(NC2CCCN2CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 18920268 | 11959 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCC(C)CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1183636 | 11959 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCC(C)CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308744 | 11959 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCC(C)CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10107562 | 21997 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 277 | 6 | 0 | 4 | 3.5 | CCCCCSc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL132278 | 21997 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 277 | 6 | 0 | 4 | 3.5 | CCCCCSc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| 18920287 | 202632 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 279 | 6 | 0 | 5 | 3.0 | C=CCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL71536 | 202632 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 279 | 6 | 0 | 5 | 3.0 | C=CCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 10266190 | 62720 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@H]1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL1788236 | 62720 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@H]1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 15860348 | 117957 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 283 | 6 | 0 | 6 | 2.2 | CCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL341242 | 117957 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 283 | 6 | 0 | 6 | 2.2 | CCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 14936861 | 102630 | 3 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00100a005 | ||
| CHEMBL307645 | 102630 | 3 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00100a005 | ||
| 14936861 | 102630 | 3 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00090a019 | ||
| CHEMBL307645 | 102630 | 3 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00090a019 | ||
| 302 | 2929 | 23 | None | -20 | 7 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 4630 | 2929 | 23 | None | -20 | 7 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL7634 | 2929 | 23 | None | -20 | 7 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 13271742 | 59339 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 352 | 1 | 1 | 5 | 3.0 | CN1CCC(OC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17213 | 59339 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 352 | 1 | 1 | 5 | 3.0 | CN1CCC(OC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 14054140 | 98483 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 364 | 2 | 1 | 4 | 3.4 | CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL279528 | 98483 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 364 | 2 | 1 | 4 | 3.4 | CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 14054141 | 161934 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00401a016 | ||
| CHEMBL416723 | 161934 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00401a016 | ||
| 44236338 | 13797 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1196358 | 13797 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL556634 | 13797 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 18920344 | 202385 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=C(C)CCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL70160 | 202385 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=C(C)CCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 44456598 | 155783 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 240 | 4 | 1 | 6 | 0.6 | CN1CCC=C(c2nsnc2OCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL406570 | 155783 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 240 | 4 | 1 | 6 | 0.6 | CN1CCC=C(c2nsnc2OCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 18920229 | 101876 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 225 | 2 | 0 | 5 | 1.7 | COc1nsnc1C1=C(C)CCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL303732 | 101876 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 225 | 2 | 0 | 5 | 1.7 | COc1nsnc1C1=C(C)CCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 44310185 | 202593 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 363 | 7 | 0 | 5 | 5.2 | CCCCCCOc1nsnc1C1=CC2(C)CCCCC2(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL71380 | 202593 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 363 | 7 | 0 | 5 | 5.2 | CCCCCCOc1nsnc1C1=CC2(C)CCCCC2(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 18920229 | 101876 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 225 | 2 | 0 | 5 | 1.7 | COc1nsnc1C1=C(C)CCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL303732 | 101876 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 225 | 2 | 0 | 5 | 1.7 | COc1nsnc1C1=C(C)CCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 24121307 | 102569 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 386 | 2 | 1 | 7 | 2.4 | CN1CCN(C2=Nc3ccccc3Nc3ccc(OS(C)(=O)=O)cc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL307163 | 102569 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 386 | 2 | 1 | 7 | 2.4 | CN1CCN(C2=Nc3ccccc3Nc3ccc(OS(C)(=O)=O)cc32)CC1 | 10.1021/jm991005d | ||
| 12314275 | 105494 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 180 | 2 | 0 | 4 | 0.5 | Cn1cncc1C[C@H]1COC(=O)C1 | 10.1021/jm00079a002 | ||
| CHEMBL313046 | 105494 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 180 | 2 | 0 | 4 | 0.5 | Cn1cncc1C[C@H]1COC(=O)C1 | 10.1021/jm00079a002 | ||
| 44323916 | 205414 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 221 | 3 | 0 | 3 | 1.1 | CC[C@H]1C(=O)N(C)C[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL92257 | 205414 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 221 | 3 | 0 | 3 | 1.1 | CC[C@H]1C(=O)N(C)C[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 118719926 | 115280 | 0 | None | -107 | 8 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115280 | 0 | None | -107 | 8 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 118719928 | 115282 | 0 | None | -1 | 5 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115282 | 0 | None | -1 | 5 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 24739387 | 187574 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 454 | 4 | 0 | 2 | 5.2 | CC(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| CHEMBL498556 | 187574 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 454 | 4 | 0 | 2 | 5.2 | CC(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| 14054138 | 98370 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 365 | 3 | 1 | 5 | 2.0 | CN1CCN(CCC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL278701 | 98370 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 365 | 3 | 1 | 5 | 2.0 | CN1CCN(CCC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 10678449 | 22452 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.6 | CO/N=C/[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| CHEMBL132698 | 22452 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.6 | CO/N=C/[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| 14660293 | 52373 | 3 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 191 | 0 | 1 | 4 | 1.3 | c1cc2nsnc2c2c1CCNC2 | 10.1021/jm9705216 | ||
| CHEMBL15936 | 52373 | 3 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 191 | 0 | 1 | 4 | 1.3 | c1cc2nsnc2c2c1CCNC2 | 10.1021/jm9705216 | ||
| 2274 | 3124 | 53 | None | -51 | 32 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3124 | 53 | None | -51 | 32 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3124 | 53 | None | -51 | 32 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3124 | 53 | None | -51 | 32 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3124 | 53 | None | -51 | 32 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 44323879 | 205114 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 221 | 3 | 0 | 3 | 1.1 | CC[C@@H]1C(=O)N(C)C[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL90532 | 205114 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 221 | 3 | 0 | 3 | 1.1 | CC[C@@H]1C(=O)N(C)C[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 16742745 | 121970 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 376 | 9 | 1 | 5 | 4.3 | COc1ccc(-c2ccc(CCCNc3ccc(CN(C)C)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3601031 | 121970 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 376 | 9 | 1 | 5 | 4.3 | COc1ccc(-c2ccc(CCCNc3ccc(CN(C)C)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 10657039 | 117014 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 229 | 6 | 1 | 6 | 1.1 | CCCCOc1nsnc1OC1CNC1 | 10.1021/jm970125n | ||
| CHEMBL340021 | 117014 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 229 | 6 | 1 | 6 | 1.1 | CCCCOc1nsnc1OC1CNC1 | 10.1021/jm970125n | ||
| 15180170 | 102705 | 1 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 280 | 7 | 1 | 5 | 3.2 | CCCCCCNc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308168 | 102705 | 1 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 280 | 7 | 1 | 5 | 3.2 | CCCCCCNc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 15180170 | 102705 | 1 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 280 | 7 | 1 | 5 | 3.2 | CCCCCCNc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL308168 | 102705 | 1 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 280 | 7 | 1 | 5 | 3.2 | CCCCCCNc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 10521205 | 11324 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180298 | 11324 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120599 | 11324 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 10785471 | 113217 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.9 | CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL332320 | 113217 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.9 | CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 10778462 | 204289 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| CHEMBL84919 | 204289 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| 2247 | 502 | 77 | None | -23 | 41 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -23 | 41 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -23 | 41 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -23 | 41 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -23 | 41 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 176155 | 4101 | 0 | None | -1 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.7 | C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | nan | ||
| CHEMBL10 | 4101 | 0 | None | -1 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.7 | C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | nan | ||
| 44456645 | 95125 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 241 | 4 | 1 | 6 | 0.6 | CN1CCC=C(c2nsnc2OCCO)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL257683 | 95125 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 241 | 4 | 1 | 6 | 0.6 | CN1CCC=C(c2nsnc2OCCO)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44302901 | 100587 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)cc34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL294726 | 100587 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)cc34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| 10829928 | 12296 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| CHEMBL1185758 | 12296 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| CHEMBL431688 | 12296 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| 15180166 | 203224 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 313 | 7 | 0 | 5 | 2.9 | CCCCCC[S+]([O-])c1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL76296 | 203224 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 313 | 7 | 0 | 5 | 2.9 | CCCCCC[S+]([O-])c1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10085070 | 204266 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C\CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL84726 | 204266 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C\CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 11057 | 175575 | 19 | None | -1 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 175575 | 19 | None | -1 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 175575 | 19 | None | -1 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 175575 | 19 | None | -1 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 180 | 397 | 50 | None | -14 | 38 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -14 | 38 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -14 | 38 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -14 | 38 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -14 | 38 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 18920221 | 101854 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 239 | 3 | 0 | 5 | 2.0 | CCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL303599 | 101854 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 239 | 3 | 0 | 5 | 2.0 | CCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 10266190 | 62720 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@H]1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL1788236 | 62720 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@H]1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 10546275 | 15033 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.5 | CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL121059 | 15033 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.5 | CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 44214356 | 17825 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 311 | 8 | 0 | 6 | 3.0 | CCCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126332 | 17825 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 311 | 8 | 0 | 6 | 3.0 | CCCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 71450872 | 78269 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2cccnc2N(C(=O)C[C@@H]2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL2112418 | 78269 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2cccnc2N(C(=O)C[C@@H]2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 9905964 | 164861 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.6 | CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL423832 | 164861 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.6 | CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 3191 | 102385 | 93 | None | -19 | 25 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm00020a018 | ||
| CHEMBL305660 | 102385 | 93 | None | -19 | 25 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm00020a018 | ||
| 3088389 | 22912 | 2 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 368 | 11 | 0 | 6 | 4.2 | CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL13308 | 22912 | 2 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 368 | 11 | 0 | 6 | 4.2 | CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 3071772 | 97968 | 2 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 382 | 12 | 0 | 6 | 4.6 | CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL275537 | 97968 | 2 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 382 | 12 | 0 | 6 | 4.6 | CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| 10466019 | 10789 | 1 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 219 | 2 | 0 | 4 | 1.3 | COc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL117268 | 10789 | 1 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 219 | 2 | 0 | 4 | 1.3 | COc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 1530 | 2151 | 44 | None | -44 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2151 | 44 | None | -44 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2151 | 44 | None | -44 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2151 | 44 | None | -44 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2151 | 44 | None | -44 | 20 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 18920344 | 202385 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=C(C)CCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL70160 | 202385 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=C(C)CCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 10333583 | 204330 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL85264 | 204330 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 24750281 | 89067 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 434 | 5 | 1 | 9 | 0.7 | CC#CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL237288 | 89067 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 434 | 5 | 1 | 9 | 0.7 | CC#CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/jm701280z | ||
| 302 | 2929 | 23 | None | -20 | 7 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00079a002 | ||
| 4630 | 2929 | 23 | None | -20 | 7 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00079a002 | ||
| CHEMBL7634 | 2929 | 23 | None | -20 | 7 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00079a002 | ||
| 10256272 | 111021 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 10 | 0 | 7 | 6.2 | COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CCC4C5)on3)cc2OCc2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| CHEMBL327827 | 111021 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 10 | 0 | 7 | 6.2 | COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CCC4C5)on3)cc2OCc2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| 10757736 | 14339 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120135 | 14339 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 118719927 | 115281 | 0 | None | -3 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115281 | 0 | None | -3 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 2230 | 461 | 55 | None | -89 | 10 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(01)00559-5 | ||
| 296 | 461 | 55 | None | -89 | 10 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL7303 | 461 | 55 | None | -89 | 10 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(01)00559-5 | ||
| DB04365 | 461 | 55 | None | -89 | 10 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(01)00559-5 | ||
| 44328808 | 11253 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 299 | 3 | 0 | 5 | 2.0 | Brc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179717 | 11253 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 299 | 3 | 0 | 5 | 2.0 | Brc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL95983 | 11253 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 299 | 3 | 0 | 5 | 2.0 | Brc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 10334375 | 9991 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.5 | CCCCCCOc1nccnc1C1=CCCCN(C)C1 | 10.1021/jm00018a007 | ||
| CHEMBL115416 | 9991 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.5 | CCCCCCOc1nccnc1C1=CCCCN(C)C1 | 10.1021/jm00018a007 | ||
| 10006926 | 89068 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 8 | 2 | 11 | -0.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1OCC(=O)NC)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL237289 | 89068 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 8 | 2 | 11 | -0.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1OCC(=O)NC)c(=O)n2C | 10.1021/jm701280z | ||
| 10487582 | 28018 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| CHEMBL137384 | 28018 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00079a002 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00079a002 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00079a002 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00079a002 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00079a002 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00477-1 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00477-1 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00477-1 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00477-1 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00477-1 | ||
| 10003476 | 154855 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 4 | 1 | 9 | 1.8 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| CHEMBL403553 | 154855 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 4 | 1 | 9 | 1.8 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| 191 | 399 | 92 | None | -32 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -32 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -32 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -32 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -32 | 28 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(01)80787-3 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(01)80787-3 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(01)80787-3 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| 5648 | 78002 | 7 | None | 1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2107687 | 78002 | 7 | None | 1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2111176 | 78002 | 7 | None | 1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| 18920353 | 110924 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL327289 | 110924 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL76161 | 110924 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 15180160 | 11213 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 311 | 8 | 0 | 5 | 4.3 | CCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179383 | 11213 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 311 | 8 | 0 | 5 | 4.3 | CCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73338 | 11213 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 311 | 8 | 0 | 5 | 4.3 | CCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 18920353 | 110924 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL327289 | 110924 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL76161 | 110924 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm701575k | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm701575k | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm701575k | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm701575k | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm701575k | ||
| 15860347 | 17799 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 269 | 5 | 0 | 6 | 1.8 | CCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126193 | 17799 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 269 | 5 | 0 | 6 | 1.8 | CCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 9904307 | 19263 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 297 | 7 | 0 | 6 | 2.6 | CCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL129764 | 19263 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 297 | 7 | 0 | 6 | 2.6 | CCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 118718322 | 120337 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 421 | 3 | 0 | 5 | 4.0 | CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3c(c21)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL3349343 | 120337 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 421 | 3 | 0 | 5 | 4.0 | CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3c(c21)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL3558517 | 120337 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 421 | 3 | 0 | 5 | 4.0 | CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3c(c21)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 44343728 | 10832 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@@H]1CN2CCCC1C2 | 10.1021/jm00018a007 | ||
| CHEMBL117305 | 10832 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@@H]1CN2CCCC1C2 | 10.1021/jm00018a007 | ||
| 1979 | 76973 | 66 | None | - | 4 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL20835 | 76973 | 66 | None | - | 4 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| 10755733 | 11323 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL1180297 | 11323 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL120581 | 11323 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| 25147650 | 178037 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 3.0 | CN1CCC=C(C2CN(C(=S)Nc3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL467376 | 178037 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 3.0 | CN1CCC=C(C2CN(C(=S)Nc3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 53853235 | 78271 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 401 | 2 | 0 | 5 | 3.6 | O=C1c2ccccc2-n2c(nc3cccnc32)CN1C[C@@H]1CCCN2CCCC[C@H]12 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL2112432 | 78271 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 401 | 2 | 0 | 5 | 3.6 | O=C1c2ccccc2-n2c(nc3cccnc32)CN1C[C@@H]1CCCN2CCCC[C@H]12 | 10.1016/s0960-894x(99)00528-4 | ||
| 9954899 | 202758 | 15 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 2 | 1 | 7 | 3.3 | CN1CCN(C2=Nc3ccccc3Nc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 | 10.1021/jm9704457 | ||
| CHEMBL72292 | 202758 | 15 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 2 | 1 | 7 | 3.3 | CN1CCN(C2=Nc3ccccc3Nc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 | 10.1021/jm9704457 | ||
| 218049 | 43789 | 19 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 284 | 5 | 1 | 5 | 1.9 | c1ccc(-c2ccc(NCCN3CCOCC3)nn2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL151417 | 43789 | 19 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 284 | 5 | 1 | 5 | 1.9 | c1ccc(-c2ccc(NCCN3CCOCC3)nn2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 137640201 | 156419 | 2 | None | -288 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156419 | 2 | None | -288 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44456864 | 157682 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL408822 | 157682 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44328810 | 11251 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 4 | 0 | 5 | 2.3 | Brc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179715 | 11251 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 4 | 0 | 5 | 2.3 | Brc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL95907 | 11251 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 313 | 4 | 0 | 5 | 2.3 | Brc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 10784004 | 13276 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1192621 | 13276 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL543890 | 13276 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 44327295 | 205664 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 524 | 10 | 0 | 7 | 6.2 | COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CCC4C5)on3)cc2OCc2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| CHEMBL93876 | 205664 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 524 | 10 | 0 | 7 | 6.2 | COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CCC4C5)on3)cc2OCc2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| 44310185 | 202593 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 363 | 7 | 0 | 5 | 5.2 | CCCCCCOc1nsnc1C1=CC2(C)CCCCC2(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL71380 | 202593 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 363 | 7 | 0 | 5 | 5.2 | CCCCCCOc1nsnc1C1=CC2(C)CCCCC2(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 10176679 | 133086 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 209 | 3 | 0 | 4 | 0.8 | CCN1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL37132 | 133086 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 209 | 3 | 0 | 4 | 0.8 | CCN1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| 10827157 | 11332 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL1180317 | 11332 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL121552 | 11332 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| 155525135 | 175809 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 476 | 13 | 0 | 6 | 3.0 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4456280 | 175809 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 476 | 13 | 0 | 6 | 3.0 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4595905 | 175809 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 476 | 13 | 0 | 6 | 3.0 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| 68617 | 203816 | 60 | None | -25 | 25 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 203816 | 60 | None | -25 | 25 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 203816 | 60 | None | -25 | 25 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 44302728 | 197036 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL58228 | 197036 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10335152 | 10366 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 303 | 8 | 0 | 4 | 3.6 | CCCCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL116462 | 10366 | 1 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 303 | 8 | 0 | 4 | 3.6 | CCCCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 19710110 | 11212 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCCC(C)COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179368 | 11212 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCCC(C)COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL72430 | 11212 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCCC(C)COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10107562 | 21997 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 277 | 6 | 0 | 4 | 3.5 | CCCCCSc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL132278 | 21997 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 277 | 6 | 0 | 4 | 3.5 | CCCCCSc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 10663572 | 13048 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1190784 | 13048 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL541584 | 13048 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 11695697 | 117278 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.1 | O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401646 | 117278 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.1 | O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| 155562521 | 175705 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 504 | 15 | 0 | 6 | 3.8 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4571387 | 175705 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 504 | 15 | 0 | 6 | 3.8 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4595086 | 175705 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 504 | 15 | 0 | 6 | 3.8 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| 136056101 | 167802 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 356 | 9 | 2 | 5 | 4.3 | CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1O | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL434489 | 167802 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 356 | 9 | 2 | 5 | 4.3 | CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1O | 10.1016/S0960-894X(00)80540-5 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 11820032 | 97772 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 197 | 2 | 0 | 2 | -0.1 | C[N+](C)(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL274329 | 97772 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 197 | 2 | 0 | 2 | -0.1 | C[N+](C)(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(00)80536-3 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(00)80536-3 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(00)80536-3 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 60691 | 101081 | 19 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 251 | 4 | 0 | 3 | 3.7 | CCCN(c1ccncc1)n1ccc2ccccc21 | 10.1021/jm9506433 | ||
| CHEMBL29835 | 101081 | 19 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 251 | 4 | 0 | 3 | 3.7 | CCCN(c1ccncc1)n1ccc2ccccc21 | 10.1021/jm9506433 | ||
| 9804849 | 67117 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | ||
| CHEMBL189118 | 67117 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | ||
| 44356367 | 117988 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 2.2 | C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1 | 10.1021/jm9702903 | ||
| CHEMBL341447 | 117988 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 2.2 | C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1 | 10.1021/jm9702903 | ||
| 44328820 | 11865 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 237 | 4 | 0 | 6 | 0.9 | COc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1182987 | 11865 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 237 | 4 | 0 | 6 | 0.9 | COc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL274822 | 11865 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 237 | 4 | 0 | 6 | 0.9 | COc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 5282593 | 54972 | 25 | None | -2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1319362 | 54972 | 25 | None | -2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1618018 | 54972 | 25 | None | -2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| 44328710 | 11269 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 255 | 3 | 0 | 5 | 1.9 | Clc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179775 | 11269 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 255 | 3 | 0 | 5 | 1.9 | Clc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL99310 | 11269 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 255 | 3 | 0 | 5 | 1.9 | Clc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 1210 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 905 | 45 | None | -63 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2286 | 3134 | 48 | None | -1 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3134 | 48 | None | -1 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3134 | 48 | None | -1 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3134 | 48 | None | -1 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3134 | 48 | None | -1 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 44310197 | 202369 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.5 | CCCCCCOc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL70051 | 202369 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.5 | CCCCCCOc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 9905467 | 11331 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180316 | 11331 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL121520 | 11331 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 44381037 | 119756 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 254 | 5 | 1 | 2 | 3.6 | Cc1cc(NCCN(C)C)ccc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL352419 | 119756 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 254 | 5 | 1 | 2 | 3.6 | Cc1cc(NCCN(C)C)ccc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 15180161 | 11217 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 325 | 9 | 0 | 5 | 4.7 | CCCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179394 | 11217 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 325 | 9 | 0 | 5 | 4.7 | CCCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73709 | 11217 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 325 | 9 | 0 | 5 | 4.7 | CCCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 3072501 | 106785 | 6 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 380 | 10 | 1 | 8 | 3.5 | CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL316973 | 106785 | 6 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 380 | 10 | 1 | 8 | 3.5 | CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 18920309 | 206618 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL442369 | 206618 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL99476 | 206618 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 300 | 2474 | 13 | None | - | 5 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm00079a002 | ||
| 4141 | 2474 | 13 | None | - | 5 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm00079a002 | ||
| CHEMBL92387 | 2474 | 13 | None | - | 5 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm00079a002 | ||
| 10248541 | 182317 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 369 | 15 | 7 | 4 | 0.5 | CC(=O)NC(CCCNC(=N)N)C(=O)CCCCCCCCNC(=N)N | 10.1021/np50120a004 | ||
| CHEMBL479224 | 182317 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 369 | 15 | 7 | 4 | 0.5 | CC(=O)NC(CCCNC(=N)N)C(=O)CCCCCCCCNC(=N)N | 10.1021/np50120a004 | ||
| 10777343 | 204449 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 254 | 2 | 0 | 3 | 2.1 | Cc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| CHEMBL86288 | 204449 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 254 | 2 | 0 | 3 | 2.1 | Cc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| 15011829 | 41797 | 6 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 1 | 3 | 0.2 | COC(=O)[C@@H]1C[C@H]2CN[C@@H]1C2 | 10.1016/S0960-894X(00)80178-X | ||
| CHEMBL149560 | 41797 | 6 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 155 | 1 | 1 | 3 | 0.2 | COC(=O)[C@@H]1C[C@H]2CN[C@@H]1C2 | 10.1016/S0960-894X(00)80178-X | ||
| 101882890 | 115276 | 0 | None | 1 | 5 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115276 | 0 | None | 1 | 5 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 135 | 2496 | 38 | None | -24 | 57 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2496 | 38 | None | -24 | 57 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2496 | 38 | None | -24 | 57 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2496 | 38 | None | -24 | 57 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2496 | 38 | None | -24 | 57 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 24856058 | 62604 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 461 | 5 | 0 | 5 | 3.8 | CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3Br)c2)CC1 | 10.1021/ml100101u | ||
| CHEMBL1784916 | 62604 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 461 | 5 | 0 | 5 | 3.8 | CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3Br)c2)CC1 | 10.1021/ml100101u | ||
| 44330323 | 206669 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 329 | 7 | 0 | 5 | 3.7 | CN1CCC=C(c2nsnc2OCCCCc2ccccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL99768 | 206669 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 329 | 7 | 0 | 5 | 3.7 | CN1CCC=C(c2nsnc2OCCCCc2ccccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 43815 | 186337 | 58 | None | -9 | 24 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186337 | 58 | None | -9 | 24 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186337 | 58 | None | -9 | 24 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 11629696 | 203023 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 181 | 1 | 0 | 4 | 1.3 | CN1CCC=C(c2cnsn2)C1 | 10.1021/jm00090a019 | ||
| CHEMBL74301 | 203023 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 181 | 1 | 0 | 4 | 1.3 | CN1CCC=C(c2cnsn2)C1 | 10.1021/jm00090a019 | ||
| 15180163 | 11218 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 251 | 5 | 0 | 4 | 3.0 | CCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179396 | 11218 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 251 | 5 | 0 | 4 | 3.0 | CCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73741 | 11218 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 251 | 5 | 0 | 4 | 3.0 | CCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 45269436 | 194981 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 422 | 5 | 0 | 5 | 4.3 | CN(C1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| CHEMBL564446 | 194981 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 422 | 5 | 0 | 5 | 4.3 | CN(C1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| 44456600 | 96995 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 254 | 5 | 1 | 6 | 1.0 | CN1CCC=C(c2nsnc2OCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL270031 | 96995 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 254 | 5 | 1 | 6 | 1.0 | CN1CCC=C(c2nsnc2OCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 4601 | 205020 | 29 | None | 1 | 17 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 205020 | 29 | None | 1 | 17 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 205020 | 29 | None | 1 | 17 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 9815719 | 102343 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL305401 | 102343 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL72908 | 102343 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 9815719 | 102343 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL305401 | 102343 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL72908 | 102343 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 9815719 | 102343 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL305401 | 102343 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL72908 | 102343 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 237 | 203157 | 43 | None | -1 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 44328834 | 11271 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 1.8 | Clc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL100209 | 11271 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 1.8 | Clc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179796 | 11271 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 1.8 | Clc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 71452649 | 78085 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1O[C@@H]1CC2CCN(C2)C1 | 10.1021/jm970125n | ||
| CHEMBL2111844 | 78085 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1O[C@@H]1CC2CCN(C2)C1 | 10.1021/jm970125n | ||
| 44235638 | 193644 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 347 | 2 | 0 | 3 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2CCc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL551525 | 193644 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 347 | 2 | 0 | 3 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2CCc2ccccc21 | 10.1021/jm900132z | ||
| 44310203 | 102345 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 253 | 4 | 0 | 5 | 2.3 | CCCOc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL305412 | 102345 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 253 | 4 | 0 | 5 | 2.3 | CCCOc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 11569926 | 62803 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 441 | 7 | 0 | 2 | 5.7 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779048 | 62803 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 441 | 7 | 0 | 2 | 5.7 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789434 | 62803 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 441 | 7 | 0 | 2 | 5.7 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 155534467 | 175662 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 586 | 10 | 0 | 8 | 5.1 | Cc1cc(C[N+](C)(C)CC#CCOC2=NOCC2)ccc1/N=N/c1ccc(C[N+](C)(C)CC#CCOC2=NOCC2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4470357 | 175662 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 586 | 10 | 0 | 8 | 5.1 | Cc1cc(C[N+](C)(C)CC#CCOC2=NOCC2)ccc1/N=N/c1ccc(C[N+](C)(C)CC#CCOC2=NOCC2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4594712 | 175662 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 586 | 10 | 0 | 8 | 5.1 | Cc1cc(C[N+](C)(C)CC#CCOC2=NOCC2)ccc1/N=N/c1ccc(C[N+](C)(C)CC#CCOC2=NOCC2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| 14054144 | 60112 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 337 | 0 | 1 | 4 | 2.2 | CN1CCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17519 | 60112 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 337 | 0 | 1 | 4 | 2.2 | CN1CCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 14054135 | 61189 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 1.9 | CN(C)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL17709 | 61189 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 1.9 | CN(C)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 10511551 | 25627 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| CHEMBL135328 | 25627 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| 3072518 | 5175 | 4 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 486 | 13 | 2 | 10 | 4.5 | CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL106344 | 5175 | 4 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 486 | 13 | 2 | 10 | 4.5 | CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 44577881 | 178032 | 0 | None | - | 1 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 347 | 3 | 1 | 4 | 2.4 | COc1ccc(NC(=S)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL467348 | 178032 | 0 | None | - | 1 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 347 | 3 | 1 | 4 | 2.4 | COc1ccc(NC(=S)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2008.06.053 | ||
| 10826990 | 204436 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.7 | O=[N+]([O-])c1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL86197 | 204436 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.7 | O=[N+]([O-])c1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 448537 | 159703 | 86 | None | -28 | 25 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 159703 | 86 | None | -28 | 25 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 31703 | 193050 | 59 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | nan | ||
| CHEMBL359744 | 193050 | 59 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | nan | ||
| CHEMBL53463 | 193050 | 59 | None | -1 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | nan | ||
| 9794784 | 158117 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 241 | 3 | 0 | 6 | 1.0 | COc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL409280 | 158117 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 241 | 3 | 0 | 6 | 1.0 | COc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 10800287 | 19232 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 243 | 6 | 1 | 6 | 1.5 | CCCCOc1nsnc1OC1CCNC1 | 10.1021/jm970125n | ||
| CHEMBL129474 | 19232 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 243 | 6 | 1 | 6 | 1.5 | CCCCOc1nsnc1OC1CCNC1 | 10.1021/jm970125n | ||
| 11318734 | 186747 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 429 | 6 | 2 | 5 | 3.4 | O=C(NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1)c1ccc2c(c1)OCO2 | 10.1021/jm800935u | ||
| CHEMBL493079 | 186747 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 429 | 6 | 2 | 5 | 3.4 | O=C(NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1)c1ccc2c(c1)OCO2 | 10.1021/jm800935u | ||
| 10420458 | 204545 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL86903 | 204545 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 10666533 | 11327 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180310 | 11327 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL121299 | 11327 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| 277 | 1274 | 55 | None | -8 | 45 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1274 | 55 | None | -8 | 45 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1274 | 55 | None | -8 | 45 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1274 | 55 | None | -8 | 45 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1274 | 55 | None | -8 | 45 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 9992835 | 115859 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.8 | CCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL335976 | 115859 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.8 | CCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 10567192 | 11990 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1183934 | 11990 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL324936 | 11990 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 44517701 | 8819 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 300 | 2 | 0 | 3 | 2.1 | Cc1ccc(C(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2009.06.032 | ||
| CHEMBL1097623 | 8819 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 300 | 2 | 0 | 3 | 2.1 | Cc1ccc(C(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2009.06.032 | ||
| 218051 | 39462 | 1 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 312 | 6 | 1 | 5 | 2.5 | CCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL147535 | 39462 | 1 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 312 | 6 | 1 | 5 | 2.5 | CCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| 14700605 | 120258 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 326 | 7 | 1 | 5 | 2.8 | CCCc1cc(NCCN2CCOCC2)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL355350 | 120258 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 326 | 7 | 1 | 5 | 2.8 | CCCc1cc(NCCN2CCOCC2)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 6410819 | 120779 | 1 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 424 | 7 | 1 | 5 | 4.6 | c1ccc(-c2cc(Cc3ccc4ccccc4c3)c(NCCN3CCOCC3)nn2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL358010 | 120779 | 1 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 424 | 7 | 1 | 5 | 4.6 | c1ccc(-c2cc(Cc3ccc4ccccc4c3)c(NCCN3CCOCC3)nn2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 10592484 | 11330 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180314 | 11330 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL121476 | 11330 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 44456600 | 96995 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 254 | 5 | 1 | 6 | 1.0 | CN1CCC=C(c2nsnc2OCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL270031 | 96995 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 254 | 5 | 1 | 6 | 1.0 | CN1CCC=C(c2nsnc2OCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 10610448 | 204405 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 246 | 2 | 0 | 4 | 1.8 | C(#Cc1cccs1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL85936 | 204405 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 246 | 2 | 0 | 4 | 1.8 | C(#Cc1cccs1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 1548953 | 205945 | 24 | None | -1 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 205945 | 24 | None | -1 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 44328817 | 11258 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 265 | 5 | 0 | 6 | 1.5 | COc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179732 | 11258 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 265 | 5 | 0 | 6 | 1.5 | COc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL97297 | 11258 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 265 | 5 | 0 | 6 | 1.5 | COc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 122184699 | 121980 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 451 | 9 | 1 | 5 | 5.0 | OCC1CCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)CC1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3601040 | 121980 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 451 | 9 | 1 | 5 | 5.0 | OCC1CCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)CC1 | 10.1016/j.bmcl.2015.05.074 | ||
| 10726038 | 118927 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.6 | CO/N=C(\C#N)C12CCN(CC1)C2 | 10.1021/jm9702903 | ||
| CHEMBL344892 | 118927 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.6 | CO/N=C(\C#N)C12CCN(CC1)C2 | 10.1021/jm9702903 | ||
| 10707175 | 204431 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL86150 | 204431 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10016259 | 10702 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 275 | 7 | 1 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCCNC1 | 10.1021/jm00018a007 | ||
| CHEMBL117193 | 10702 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 275 | 7 | 1 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCCNC1 | 10.1021/jm00018a007 | ||
| 44328717 | 11255 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 251 | 5 | 0 | 6 | 1.1 | COc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179727 | 11255 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 251 | 5 | 0 | 6 | 1.1 | COc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL97208 | 11255 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 251 | 5 | 0 | 6 | 1.1 | COc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 155517739 | 175707 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 448 | 11 | 0 | 6 | 2.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4445610 | 175707 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 448 | 11 | 0 | 6 | 2.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4595099 | 175707 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 448 | 11 | 0 | 6 | 2.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| 10107460 | 11152 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00018a007 | ||
| CHEMBL117903 | 11152 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00018a007 | ||
| 10444663 | 18713 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 247 | 5 | 0 | 4 | 2.4 | CCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL128401 | 18713 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 247 | 5 | 0 | 4 | 2.4 | CCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 10107460 | 11152 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL117903 | 11152 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 10444663 | 18713 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 247 | 5 | 0 | 4 | 2.4 | CCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL128401 | 18713 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 247 | 5 | 0 | 4 | 2.4 | CCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 44310203 | 102345 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 253 | 4 | 0 | 5 | 2.3 | CCCOc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL305412 | 102345 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 253 | 4 | 0 | 5 | 2.3 | CCCOc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 44350792 | 16944 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 257 | 3 | 0 | 6 | 1.7 | CSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125518 | 16944 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 257 | 3 | 0 | 6 | 1.7 | CSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 13218695 | 119866 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 6 | 1 | 5 | 3.6 | c1ccc(-c2cc(NCCN3CCOCC3)nnc2-c2ccccc2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL353276 | 119866 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 6 | 1 | 5 | 3.6 | c1ccc(-c2cc(NCCN3CCOCC3)nnc2-c2ccccc2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 306 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 3536 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 53930639 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 9577995 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| CHEMBL134641 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 15180163 | 11218 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 251 | 5 | 0 | 4 | 3.0 | CCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179396 | 11218 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 251 | 5 | 0 | 4 | 3.0 | CCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73741 | 11218 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 251 | 5 | 0 | 4 | 3.0 | CCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 9978490 | 121908 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 5 | 0 | 3 | 5.3 | Clc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)cc3)nc2)cc1 | 10.1016/j.bmcl.2015.05.077 | ||
| CHEMBL3600828 | 121908 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 5 | 0 | 3 | 5.3 | Clc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)cc3)nc2)cc1 | 10.1016/j.bmcl.2015.05.077 | ||
| 4199 | 98389 | 36 | None | - | 1 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL278819 | 98389 | 36 | None | - | 1 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(00)80178-X | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(00)80178-X | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(00)80178-X | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(00)80178-X | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00079a002 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00079a002 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00079a002 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00079a002 | ||
| 10059284 | 116116 | 2 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 219 | 3 | 0 | 4 | 1.6 | CCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL336793 | 116116 | 2 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 219 | 3 | 0 | 4 | 1.6 | CCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 118728611 | 117276 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 1.6 | CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401644 | 117276 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 1.6 | CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 44328812 | 11976 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 299 | 4 | 0 | 5 | 1.9 | Brc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183791 | 11976 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 299 | 4 | 0 | 5 | 1.9 | Brc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL317931 | 11976 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 299 | 4 | 0 | 5 | 1.9 | Brc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 44342270 | 9837 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.5 | Cc1ccc(CN2CCC(n3c(O)nc4ccccc43)CC2)c(Cl)c1 | 10.1021/jm010878g | ||
| CHEMBL114484 | 9837 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.5 | Cc1ccc(CN2CCC(n3c(O)nc4ccccc43)CC2)c(Cl)c1 | 10.1021/jm010878g | ||
| 44351242 | 117557 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| CHEMBL340435 | 117557 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| 72548703 | 161019 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL4128926 | 161019 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| 10356836 | 20394 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 289 | 8 | 0 | 4 | 3.5 | CCCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL130807 | 20394 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 289 | 8 | 0 | 4 | 3.5 | CCCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 15180159 | 11221 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 2.4 | CCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179410 | 11221 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 2.4 | CCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL74358 | 11221 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 2.4 | CCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10220374 | 101920 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL303922 | 101920 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308803 | 101920 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10220374 | 101920 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL303922 | 101920 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL308803 | 101920 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 10220374 | 101920 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL303922 | 101920 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL308803 | 101920 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 10267601 | 12023 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184116 | 12023 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL332980 | 12023 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 10036553 | 110885 | 1 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 223 | 1 | 0 | 3 | 1.9 | Clc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL327065 | 110885 | 1 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 223 | 1 | 0 | 3 | 1.9 | Clc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 44343728 | 10832 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@@H]1CN2CCCC1C2 | 10.1021/jm00018a007 | ||
| CHEMBL117305 | 10832 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@@H]1CN2CCCC1C2 | 10.1021/jm00018a007 | ||
| 15678734 | 57178 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 312 | 7 | 1 | 4 | 4.0 | CCN(CC)C(C)(C)CNc1cc(-c2ccccc2)c(C)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL165815 | 57178 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 312 | 7 | 1 | 4 | 4.0 | CCN(CC)C(C)(C)CNc1cc(-c2ccccc2)c(C)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| 91468 | 205335 | 10 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL91776 | 205335 | 10 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 44323857 | 205444 | 1 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 194 | 3 | 0 | 3 | 1.6 | CC[C@@H]1COC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL92429 | 205444 | 1 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 194 | 3 | 0 | 3 | 1.6 | CC[C@@H]1COC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 10082470 | 52437 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL15944 | 52437 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL308608 | 52437 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| 3072502 | 4857 | 12 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 398 | 10 | 1 | 8 | 3.6 | CN(C)Cc1ccc(CSCCNc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL104681 | 4857 | 12 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 398 | 10 | 1 | 8 | 3.6 | CN(C)Cc1ccc(CSCCNc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 15730 | 70774 | 73 | None | -2 | 10 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 70774 | 73 | None | -2 | 10 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 10614695 | 12051 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184188 | 12051 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL338280 | 12051 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| 4172972 | 11549 | 2 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 234 | 1 | 0 | 2 | 3.0 | CN1C2C=C(c3cccc(Cl)n3)CC1CC2 | 10.1016/s0960-894x(99)00575-2 | ||
| CHEMBL1181067 | 11549 | 2 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 234 | 1 | 0 | 2 | 3.0 | CN1C2C=C(c3cccc(Cl)n3)CC1CC2 | 10.1016/s0960-894x(99)00575-2 | ||
| CHEMBL154500 | 11549 | 2 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 234 | 1 | 0 | 2 | 3.0 | CN1C2C=C(c3cccc(Cl)n3)CC1CC2 | 10.1016/s0960-894x(99)00575-2 | ||
| 44328815 | 11262 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 246 | 4 | 0 | 6 | 1.0 | N#Cc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179744 | 11262 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 246 | 4 | 0 | 6 | 1.0 | N#Cc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL97716 | 11262 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 246 | 4 | 0 | 6 | 1.0 | N#Cc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 122184691 | 121969 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 402 | 9 | 1 | 5 | 4.8 | COc1ccc(-c2ccc(CCCNc3ccc(CN4CCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3601030 | 121969 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 402 | 9 | 1 | 5 | 4.8 | COc1ccc(-c2ccc(CCCNc3ccc(CN4CCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 15180164 | 14390 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL120399 | 14390 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL307837 | 14390 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 15180164 | 14390 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL120399 | 14390 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL307837 | 14390 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10332225 | 110062 | 1 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 247 | 4 | 0 | 4 | 2.1 | CCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL325225 | 110062 | 1 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 247 | 4 | 0 | 4 | 2.1 | CCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 9992835 | 115859 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.8 | CCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL335976 | 115859 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.8 | CCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 135686415 | 202870 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 322 | 1 | 1 | 5 | 3.1 | COc1ccc2c(c1)N=C(N1CCN(C)CC1)c1ccccc1N2 | 10.1021/jm991005d | ||
| CHEMBL73074 | 202870 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 322 | 1 | 1 | 5 | 3.1 | COc1ccc2c(c1)N=C(N1CCN(C)CC1)c1ccccc1N2 | 10.1021/jm991005d | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2010.07.034 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2010.07.034 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2010.07.034 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2010.07.034 | ||
| 135686415 | 202870 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 322 | 1 | 1 | 5 | 3.1 | COc1ccc2c(c1)N=C(N1CCN(C)CC1)c1ccccc1N2 | 10.1021/jm9704457 | ||
| CHEMBL73074 | 202870 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 322 | 1 | 1 | 5 | 3.1 | COc1ccc2c(c1)N=C(N1CCN(C)CC1)c1ccccc1N2 | 10.1021/jm9704457 | ||
| 168277730 | 192240 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 337 | 5 | 1 | 5 | 3.3 | CN1CCN(CC(=O)Nc2ccccc2/N=N\c2ccccc2)CC1 | 10.1021/acs.jmedchem.1c00504 | ||
| CHEMBL5175325 | 192240 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 337 | 5 | 1 | 5 | 3.3 | CN1CCN(CC(=O)Nc2ccccc2/N=N\c2ccccc2)CC1 | 10.1021/acs.jmedchem.1c00504 | ||
| CHEMBL5221716 | 192240 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 337 | 5 | 1 | 5 | 3.3 | CN1CCN(CC(=O)Nc2ccccc2/N=N\c2ccccc2)CC1 | 10.1021/acs.jmedchem.1c00504 | ||
| 44576424 | 187143 | 0 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 378 | 3 | 0 | 4 | 2.6 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL495401 | 187143 | 0 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 378 | 3 | 0 | 4 | 2.6 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 10518821 | 12021 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184108 | 12021 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL332645 | 12021 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| 44456576 | 94719 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 282 | 7 | 1 | 6 | 1.8 | CN1CCC=C(c2nsnc2OCCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL255791 | 94719 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 282 | 7 | 1 | 6 | 1.8 | CN1CCC=C(c2nsnc2OCCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 15011832 | 39916 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.5 | COC(=O)[C@H]1C[C@H]2C[C@@H]1N(C)C2 | 10.1016/S0960-894X(00)80178-X | ||
| CHEMBL147992 | 39916 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.5 | COC(=O)[C@H]1C[C@H]2C[C@@H]1N(C)C2 | 10.1016/S0960-894X(00)80178-X | ||
| 10595006 | 11340 | 0 | None | 2 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180343 | 11340 | 0 | None | 2 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL123099 | 11340 | 0 | None | 2 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 122184673 | 121934 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 411 | 8 | 1 | 5 | 5.0 | N#Cc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600981 | 121934 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 411 | 8 | 1 | 5 | 5.0 | N#Cc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 10595006 | 11340 | 0 | None | 2 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180343 | 11340 | 0 | None | 2 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL123099 | 11340 | 0 | None | 2 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| 44364821 | 38470 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 155 | 1 | 1 | 3 | 0.2 | COC(=O)C1CC2CNC1C2 | 10.1016/S0960-894X(00)80178-X | ||
| CHEMBL146583 | 38470 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 155 | 1 | 1 | 3 | 0.2 | COC(=O)C1CC2CNC1C2 | 10.1016/S0960-894X(00)80178-X | ||
| 118719928 | 115282 | 0 | None | -1 | 5 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115282 | 0 | None | -1 | 5 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 44302834 | 201022 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.9 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Oc4ccccc4)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61700 | 201022 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.9 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Oc4ccccc4)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 44302741 | 200968 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61412 | 200968 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 10063712 | 113591 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 305 | 7 | 0 | 4 | 4.0 | CCCCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL332700 | 113591 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 305 | 7 | 0 | 4 | 4.0 | CCCCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| 10229167 | 62795 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 427 | 9 | 0 | 3 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779136 | 62795 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 427 | 9 | 0 | 3 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789385 | 62795 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 427 | 9 | 0 | 3 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10143858 | 62809 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779132 | 62809 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789454 | 62809 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 18920330 | 111004 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL327754 | 111004 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL75552 | 111004 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 18920330 | 111004 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL327754 | 111004 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL75552 | 111004 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 11629696 | 203023 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 181 | 1 | 0 | 4 | 1.3 | CN1CCC=C(c2cnsn2)C1 | 10.1021/jm00090a019 | ||
| CHEMBL74301 | 203023 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 181 | 1 | 0 | 4 | 1.3 | CN1CCC=C(c2cnsn2)C1 | 10.1021/jm00090a019 | ||
| 10220374 | 101920 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL303922 | 101920 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL308803 | 101920 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 10325942 | 120366 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 8 | 2 | 5 | 3.9 | O=C(N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401650 | 120366 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 8 | 2 | 5 | 3.9 | O=C(N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559202 | 120366 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 8 | 2 | 5 | 3.9 | O=C(N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 11968014 | 12649 | 4 | None | -5 | 9 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL1187846 | 12649 | 4 | None | -5 | 9 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/acs.jmedchem.8b00265 | ||
| 10063712 | 113591 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 305 | 7 | 0 | 4 | 4.0 | CCCCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL332700 | 113591 | 1 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 305 | 7 | 0 | 4 | 4.0 | CCCCCCSc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 302 | 2929 | 23 | None | 3 | 7 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/s0960-894x(01)00559-5 | ||
| 4630 | 2929 | 23 | None | 3 | 7 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL7634 | 2929 | 23 | None | 3 | 7 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/s0960-894x(01)00559-5 | ||
| 10082470 | 52437 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL15944 | 52437 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308608 | 52437 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10133281 | 62017 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 362 | 5 | 0 | 5 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779040 | 62017 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 362 | 5 | 0 | 5 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1 | 10.1016/j.bmcl.2011.03.096 | ||
| 54582845 | 62801 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 525 | 8 | 0 | 3 | 6.2 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCOc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779139 | 62801 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 525 | 8 | 0 | 3 | 6.2 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCOc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789405 | 62801 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 525 | 8 | 0 | 3 | 6.2 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCOc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10062394 | 2998 | 1 | None | - | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 304 | 2998 | 1 | None | - | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| CHEMBL130715 | 2998 | 1 | None | - | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 10062394 | 2998 | 1 | None | - | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 304 | 2998 | 1 | None | - | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| CHEMBL130715 | 2998 | 1 | None | - | 4 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 44343726 | 168934 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@H]1CN2CCCC1C2 | 10.1021/jm00018a007 | ||
| CHEMBL443282 | 168934 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@H]1CN2CCCC1C2 | 10.1021/jm00018a007 | ||
| 10017065 | 77486 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@@H]1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL2092949 | 77486 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@@H]1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 44350993 | 167700 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 299 | 6 | 0 | 6 | 2.9 | CCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL433867 | 167700 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 299 | 6 | 0 | 6 | 2.9 | CCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 10300661 | 62807 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 421 | 9 | 0 | 2 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779135 | 62807 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 421 | 9 | 0 | 2 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789451 | 62807 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 421 | 9 | 0 | 2 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 25897919 | 55363 | 11 | None | -3 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| 657309 | 55363 | 11 | None | -3 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| CHEMBL1464005 | 55363 | 11 | None | -3 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| CHEMBL1621597 | 55363 | 11 | None | -3 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| 10403330 | 17147 | 3 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125732 | 17147 | 3 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 71452649 | 78085 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1O[C@@H]1CC2CCN(C2)C1 | 10.1021/jm970125n | ||
| CHEMBL2111844 | 78085 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1O[C@@H]1CC2CCN(C2)C1 | 10.1021/jm970125n | ||
| 44350994 | 116316 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL337925 | 116316 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 25897919 | 55363 | 11 | None | -3 | 8 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2015.02.065 | ||
| 657309 | 55363 | 11 | None | -3 | 8 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL1464005 | 55363 | 11 | None | -3 | 8 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL1621597 | 55363 | 11 | None | -3 | 8 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2015.02.065 | ||
| 10107460 | 11152 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00018a007 | ||
| CHEMBL117903 | 11152 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00018a007 | ||
| 9854312 | 116541 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 255 | 4 | 0 | 6 | 1.4 | CCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL339081 | 116541 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 255 | 4 | 0 | 6 | 1.4 | CCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 44350970 | 19246 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 271 | 4 | 0 | 6 | 2.1 | CCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL129575 | 19246 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 271 | 4 | 0 | 6 | 2.1 | CCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 71452649 | 78085 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1O[C@@H]1CC2CCN(C2)C1 | 10.1021/jm970125n | ||
| CHEMBL2111844 | 78085 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1O[C@@H]1CC2CCN(C2)C1 | 10.1021/jm970125n | ||
| 14054139 | 161218 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 336 | 2 | 1 | 4 | 2.7 | CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00401a016 | ||
| CHEMBL413966 | 161218 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 336 | 2 | 1 | 4 | 2.7 | CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00401a016 | ||
| 44380665 | 58457 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 354 | 9 | 1 | 4 | 4.9 | CCN(CC)C(C)(C)CNc1cc(-c2ccccc2)c(CC(C)C)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL168670 | 58457 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 354 | 9 | 1 | 4 | 4.9 | CCN(CC)C(C)(C)CNc1cc(-c2ccccc2)c(CC(C)C)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| 44380723 | 119840 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 3.3 | CCN1CCCC1Nc1cc(-c2ccccc2)c(C)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL353047 | 119840 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 3.3 | CCN1CCCC1Nc1cc(-c2ccccc2)c(C)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| 10107460 | 11152 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL117903 | 11152 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 13271739 | 98074 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 351 | 1 | 2 | 4 | 2.6 | CN1CCC(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL276282 | 98074 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 351 | 1 | 2 | 4 | 2.6 | CN1CCC(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 13810574 | 59382 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 310 | 3 | 1 | 4 | 2.3 | CN(C)CCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL17228 | 59382 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 310 | 3 | 1 | 4 | 2.3 | CN(C)CCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 10059284 | 116116 | 2 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 219 | 3 | 0 | 4 | 1.6 | CCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL336793 | 116116 | 2 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 219 | 3 | 0 | 4 | 1.6 | CCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 1935 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 2551 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 6687 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| CHEMBL95 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| DB00382 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 1935 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| 2551 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| 6687 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| CHEMBL95 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| DB00382 | 3677 | 92 | None | - | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| 14126162 | 58753 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 338 | 5 | 1 | 5 | 2.8 | c1ccc2c(c1)CCCc1cc(NCCCN3CCOCC3)nnc1-2 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL169522 | 58753 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 338 | 5 | 1 | 5 | 2.8 | c1ccc2c(c1)CCCc1cc(NCCCN3CCOCC3)nnc1-2 | 10.1016/S0960-894X(00)80540-5 | ||
| 3072510 | 5293 | 3 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 485 | 13 | 2 | 9 | 5.1 | CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL106936 | 5293 | 3 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 485 | 13 | 2 | 9 | 5.1 | CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 9794784 | 158117 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 241 | 3 | 0 | 6 | 1.0 | COc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL409280 | 158117 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 241 | 3 | 0 | 6 | 1.0 | COc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 10399393 | 204072 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL83074 | 204072 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 3013846 | 187656 | 2 | None | -3 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| CHEMBL499519 | 187656 | 2 | None | -3 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| 10846833 | 49536 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | ||
| CHEMBL15675 | 49536 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | ||
| 155536123 | 175683 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(/N=N\c2ccccc2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4536683 | 175683 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(/N=N\c2ccccc2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4594946 | 175683 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(/N=N\c2ccccc2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| 44350994 | 116316 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL337925 | 116316 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.11.014 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.11.014 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.11.014 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.11.014 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.11.014 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.03.006 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.03.006 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.03.006 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2016.03.006 | ||
| 10567372 | 12025 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12025 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12025 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12025 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 118719922 | 115275 | 0 | None | -1 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115275 | 0 | None | -1 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 31028 | 111018 | 1 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 145 | 2 | 0 | 3 | 0.3 | CC1OCC(CN(C)C)O1 | 10.1021/jm00079a002 | ||
| CHEMBL327819 | 111018 | 1 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 145 | 2 | 0 | 3 | 0.3 | CC1OCC(CN(C)C)O1 | 10.1021/jm00079a002 | ||
| 3072514 | 5347 | 2 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 489 | 12 | 2 | 9 | 5.4 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL107254 | 5347 | 2 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 489 | 12 | 2 | 9 | 5.4 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 122184702 | 121983 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 433 | 10 | 1 | 6 | 4.5 | OCC1CCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3601043 | 121983 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 433 | 10 | 1 | 6 | 4.5 | OCC1CCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1 | 10.1016/j.bmcl.2015.05.074 | ||
| 10686494 | 100072 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL291351 | 100072 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44304805 | 201333 | 1 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 234 | 1 | 0 | 2 | 3.0 | CN1C2C=C(c3ccc(Cl)nc3)CC1CC2 | 10.1016/s0960-894x(99)00575-2 | ||
| CHEMBL345233 | 201333 | 1 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 234 | 1 | 0 | 2 | 3.0 | CN1C2C=C(c3ccc(Cl)nc3)CC1CC2 | 10.1016/s0960-894x(99)00575-2 | ||
| CHEMBL63325 | 201333 | 1 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 234 | 1 | 0 | 2 | 3.0 | CN1C2C=C(c3ccc(Cl)nc3)CC1CC2 | 10.1016/s0960-894x(99)00575-2 | ||
| 10058347 | 105451 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL312823 | 105451 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10035533 | 203990 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 194 | 3 | 0 | 3 | 1.7 | CC(C)=CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL82378 | 203990 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 194 | 3 | 0 | 3 | 1.7 | CC(C)=CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 44456864 | 157682 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL408822 | 157682 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 24424330 | 171840 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 355 | 2 | 4 | 3 | 3.3 | O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O | 10.1016/j.ejmech.2018.09.067 | ||
| CHEMBL4476621 | 171840 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 355 | 2 | 4 | 3 | 3.3 | O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O | 10.1016/j.ejmech.2018.09.067 | ||
| 10854880 | 11316 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180282 | 11316 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL120080 | 11316 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 9815719 | 102343 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL305401 | 102343 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL72908 | 102343 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 9815719 | 102343 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL305401 | 102343 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL72908 | 102343 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 9815719 | 102343 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL305401 | 102343 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL72908 | 102343 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.3 | COc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm058018d | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm058018d | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm058018d | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm058018d | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm058018d | ||
| 15462439 | 117546 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 277 | 6 | 0 | 5 | 2.1 | CCCCOc1nccnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL340402 | 117546 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 277 | 6 | 0 | 5 | 2.1 | CCCCOc1nccnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 57396813 | 71201 | 0 | None | - | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| CHEMBL1949930 | 71201 | 0 | None | - | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| CHEMBL1963007 | 71201 | 0 | None | - | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| 155543947 | 174436 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 548 | 12 | 3 | 4 | 7.3 | COc1ccc2nc3c(c(NCCCCCCCCNC(=S)NC45CC6CC(CC(C6)C4)C5)c2c1)CCCC3 | 10.1016/j.ejmech.2019.07.040 | ||
| CHEMBL4566976 | 174436 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 548 | 12 | 3 | 4 | 7.3 | COc1ccc2nc3c(c(NCCCCCCCCNC(=S)NC45CC6CC(CC(C6)C4)C5)c2c1)CCCC3 | 10.1016/j.ejmech.2019.07.040 | ||
| 59835728 | 121910 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 430 | 5 | 0 | 3 | 5.9 | CC1CCN(CCOc2ccc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| CHEMBL3600830 | 121910 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 430 | 5 | 0 | 3 | 5.9 | CC1CCN(CCOc2ccc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| 10777692 | 11322 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180296 | 11322 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL120539 | 11322 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 57845728 | 121924 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 428 | 4 | 1 | 2 | 6.0 | O=C(C#Cc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600971 | 121924 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 428 | 4 | 1 | 2 | 6.0 | O=C(C#Cc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 44456863 | 97453 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL272468 | 97453 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 10468765 | 11978 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 1.5 | Clc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183831 | 11978 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 1.5 | Clc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL320221 | 11978 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 1.5 | Clc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 15750155 | 4955 | 2 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 203 | 1 | 0 | 3 | 1.6 | Cc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL105136 | 4955 | 2 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 203 | 1 | 0 | 3 | 1.6 | Cc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 10082734 | 10057 | 1 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 233 | 3 | 0 | 4 | 1.7 | CCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL115803 | 10057 | 1 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 233 | 3 | 0 | 4 | 1.7 | CCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 13810575 | 98130 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 2.2 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL276771 | 98130 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 2.2 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/jm00401a016 | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00090a019 | ||
| 6410805 | 44004 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 256 | 5 | 1 | 4 | 2.4 | Cc1cc(-c2ccccc2)nnc1NCCN(C)C | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL151705 | 44004 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 256 | 5 | 1 | 4 | 2.4 | Cc1cc(-c2ccccc2)nnc1NCCN(C)C | 10.1016/S0960-894X(00)80540-5 | ||
| 15678726 | 57515 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 312 | 7 | 1 | 4 | 4.0 | CCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL166990 | 57515 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 312 | 7 | 1 | 4 | 4.0 | CCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| 10610375 | 11317 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| CHEMBL1180284 | 11317 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| CHEMBL120109 | 11317 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| 10610375 | 11317 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180284 | 11317 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL120109 | 11317 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| 10664532 | 12006 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184064 | 12006 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL330892 | 12006 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 44328830 | 11974 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 269 | 4 | 0 | 5 | 2.2 | Clc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183781 | 11974 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 269 | 4 | 0 | 5 | 2.2 | Clc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL317516 | 11974 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 269 | 4 | 0 | 5 | 2.2 | Clc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 15033742 | 203187 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 237 | 5 | 0 | 5 | 2.0 | CCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL75907 | 203187 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 237 | 5 | 0 | 5 | 2.0 | CCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 18920221 | 101854 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 239 | 3 | 0 | 5 | 2.0 | CCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL303599 | 101854 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 239 | 3 | 0 | 5 | 2.0 | CCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 118718322 | 120337 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 3 | 0 | 5 | 4.0 | CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3c(c21)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL3349343 | 120337 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 3 | 0 | 5 | 4.0 | CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3c(c21)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL3558517 | 120337 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 3 | 0 | 5 | 4.0 | CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3c(c21)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 14126164 | 58458 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 324 | 7 | 1 | 4 | 3.8 | CCN(CC)CCCNc1cc2c(nn1)-c1ccccc1CCC2 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL168674 | 58458 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 324 | 7 | 1 | 4 | 3.8 | CCN(CC)CCCNc1cc2c(nn1)-c1ccccc1CCC2 | 10.1016/S0960-894X(00)80540-5 | ||
| 135795216 | 58810 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 328 | 7 | 2 | 5 | 3.7 | CCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2O)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL169829 | 58810 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 328 | 7 | 2 | 5 | 3.7 | CCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2O)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| 6410807 | 120482 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 7 | 1 | 4 | 3.2 | CCN(CC)CCNc1nnc(-c2ccccc2)cc1C | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL356373 | 120482 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 7 | 1 | 4 | 3.2 | CCN(CC)CCNc1nnc(-c2ccccc2)cc1C | 10.1016/S0960-894X(00)80540-5 | ||
| 1979 | 76973 | 66 | None | - | 4 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL20835 | 76973 | 66 | None | - | 4 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 19716 | 9177 | 5 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.6 | CC(=O)N(C)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL11081 | 9177 | 5 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.6 | CC(=O)N(C)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 44327038 | 205791 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 538 | 10 | 0 | 7 | 6.6 | COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CCC4CC5)on3)cc2OCc2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| CHEMBL94601 | 205791 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 538 | 10 | 0 | 7 | 6.6 | COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CCC4CC5)on3)cc2OCc2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| 24749924 | 89161 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 450 | 6 | 1 | 9 | 1.7 | CC(C)=CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL237488 | 89161 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 450 | 6 | 1 | 9 | 1.7 | CC(C)=CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/jm701280z | ||
| 44275682 | 11886 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 210 | 2 | 0 | 3 | 1.0 | C#CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1183197 | 11886 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 210 | 2 | 0 | 3 | 1.0 | C#CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL284208 | 11886 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 210 | 2 | 0 | 3 | 1.0 | C#CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 44327263 | 206082 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 402 | 6 | 0 | 5 | 5.0 | COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CCC4CC5)on3)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| CHEMBL96290 | 206082 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 402 | 6 | 0 | 5 | 5.0 | COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CCC4CC5)on3)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| 1547484 | 927 | 70 | None | -10 | 20 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 927 | 70 | None | -10 | 20 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 927 | 70 | None | -10 | 20 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 927 | 70 | None | -10 | 20 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 927 | 70 | None | -10 | 20 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9816807 | 117585 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 267 | 6 | 0 | 6 | 1.7 | CCCCOc1nonc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL340624 | 117585 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 267 | 6 | 0 | 6 | 1.7 | CCCCOc1nonc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 122184563 | 121897 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 487 | 10 | 2 | 4 | 4.6 | CC(=O)CNC1CCN(Cc2ccc(CCNC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| CHEMBL3600817 | 121897 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 487 | 10 | 2 | 4 | 4.6 | CC(=O)CNC1CCN(Cc2ccc(CCNC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| 15011830 | 38258 | 5 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 155 | 1 | 1 | 3 | 0.2 | COC(=O)[C@H]1C[C@@H]2CN[C@H]1C2 | 10.1016/S0960-894X(00)80178-X | ||
| CHEMBL146424 | 38258 | 5 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 155 | 1 | 1 | 3 | 0.2 | COC(=O)[C@H]1C[C@@H]2CN[C@H]1C2 | 10.1016/S0960-894X(00)80178-X | ||
| 10058744 | 204657 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL87622 | 204657 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 15685990 | 57777 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 168 | 3 | 1 | 3 | 1.0 | CC(/C=N/O)CC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL167335 | 57777 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 168 | 3 | 1 | 3 | 1.0 | CC(/C=N/O)CC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| 10334375 | 9991 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.5 | CCCCCCOc1nccnc1C1=CCCCN(C)C1 | 10.1021/jm00018a007 | ||
| CHEMBL115416 | 9991 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.5 | CCCCCCOc1nccnc1C1=CCCCN(C)C1 | 10.1021/jm00018a007 | ||
| 24750279 | 144464 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 473 | 5 | 1 | 9 | 2.4 | CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(Cc1nccc3ccccc13)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL391089 | 144464 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 473 | 5 | 1 | 9 | 2.4 | CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(Cc1nccc3ccccc13)c(=O)n2C | 10.1021/jm701280z | ||
| 54583839 | 62012 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 288 | 4 | 0 | 3 | 3.1 | CCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779035 | 62012 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 288 | 4 | 0 | 3 | 3.1 | CCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 44380442 | 57525 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 3.3 | CCN1CCCC1Nc1cc(C)c(-c2ccccc2)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL167029 | 57525 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 3.3 | CCN1CCCC1Nc1cc(C)c(-c2ccccc2)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| 44327424 | 111154 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 538 | 10 | 0 | 7 | 6.6 | COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CCC4CC5)on3)cc2OCc2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| CHEMBL328565 | 111154 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 538 | 10 | 0 | 7 | 6.6 | COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CCC4CC5)on3)cc2OCc2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| 44275767 | 97168 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 173 | 1 | 0 | 2 | 0.7 | COC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL27096 | 97168 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 173 | 1 | 0 | 2 | 0.7 | COC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL540136 | 97168 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 173 | 1 | 0 | 2 | 0.7 | COC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| 176 | 394 | 63 | None | -1 | 31 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 394 | 63 | None | -1 | 31 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 394 | 63 | None | -1 | 31 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 394 | 63 | None | -1 | 31 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 394 | 63 | None | -1 | 31 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2337 | 3205 | 72 | None | -18 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3205 | 72 | None | -18 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3205 | 72 | None | -18 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3205 | 72 | None | -18 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3205 | 72 | None | -18 | 62 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 137640201 | 156419 | 2 | None | -288 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156419 | 2 | None | -288 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 118719926 | 115280 | 0 | None | -107 | 8 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115280 | 0 | None | -107 | 8 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 3198 | 203802 | 73 | None | -12 | 34 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 203802 | 73 | None | -12 | 34 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 203802 | 73 | None | -12 | 34 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 124087 | 1362 | 106 | None | -8 | 15 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1362 | 106 | None | -8 | 15 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1362 | 106 | None | -8 | 15 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1362 | 106 | None | -8 | 15 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1362 | 106 | None | -8 | 15 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 1212 | 1632 | 45 | None | -691 | 65 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1632 | 45 | None | -691 | 65 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1632 | 45 | None | -691 | 65 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1632 | 45 | None | -691 | 65 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1632 | 45 | None | -691 | 65 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 10240891 | 204378 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL85678 | 204378 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2013.03.016 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2013.03.016 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2013.03.016 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2013.03.016 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2013.03.016 | ||
| 10356836 | 20394 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 289 | 8 | 0 | 4 | 3.5 | CCCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL130807 | 20394 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 289 | 8 | 0 | 4 | 3.5 | CCCCCCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| 135508767 | 202425 | 18 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 308 | 0 | 2 | 5 | 2.8 | CN1CCN(C2=Nc3cc(O)ccc3Nc3ccccc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL70377 | 202425 | 18 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 308 | 0 | 2 | 5 | 2.8 | CN1CCN(C2=Nc3cc(O)ccc3Nc3ccccc32)CC1 | 10.1021/jm991005d | ||
| 135508767 | 202425 | 18 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 308 | 0 | 2 | 5 | 2.8 | CN1CCN(C2=Nc3cc(O)ccc3Nc3ccccc32)CC1 | 10.1021/jm9704457 | ||
| CHEMBL70377 | 202425 | 18 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 308 | 0 | 2 | 5 | 2.8 | CN1CCN(C2=Nc3cc(O)ccc3Nc3ccccc32)CC1 | 10.1021/jm9704457 | ||
| 10567372 | 12025 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12025 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12025 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12025 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 4746 | 203183 | 29 | None | -1 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL1334033 | 203183 | 29 | None | -1 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL75880 | 203183 | 29 | None | -1 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| 302 | 2929 | 23 | None | 3 | 7 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/s0960-894x(01)00559-5 | ||
| 4630 | 2929 | 23 | None | 3 | 7 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL7634 | 2929 | 23 | None | 3 | 7 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/s0960-894x(01)00559-5 | ||
| 44456864 | 157682 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL408822 | 157682 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 9990680 | 21483 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 209 | 1 | 0 | 3 | 1.8 | CN1CCC=C(c2nccnc2Cl)C1 | 10.1021/jm00100a005 | ||
| CHEMBL131840 | 21483 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 209 | 1 | 0 | 3 | 1.8 | CN1CCC=C(c2nccnc2Cl)C1 | 10.1021/jm00100a005 | ||
| 15033743 | 203066 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL74786 | 203066 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| 15033743 | 203066 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL74786 | 203066 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 15033743 | 203066 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL74786 | 203066 | 1 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 10636001 | 11320 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180290 | 11320 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL120329 | 11320 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 44333541 | 4684 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 4 | 2 | 5 | 3.2 | O=C1Nc2cccnc2N(C(=O)CNCC2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL103785 | 4684 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 4 | 2 | 5 | 3.2 | O=C1Nc2cccnc2N(C(=O)CNCC2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 10085681 | 21292 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 291 | 7 | 0 | 4 | 3.9 | CCCCCCSc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL131587 | 21292 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 291 | 7 | 0 | 4 | 3.9 | CCCCCCSc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 15033741 | 4283 | 4 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL101054 | 4283 | 4 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL420007 | 4283 | 4 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 44351073 | 17810 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 327 | 8 | 0 | 6 | 3.7 | CCCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126237 | 17810 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 327 | 8 | 0 | 6 | 3.7 | CCCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 118719926 | 115280 | 0 | None | -107 | 8 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115280 | 0 | None | -107 | 8 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 15685977 | 119837 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 193 | 3 | 0 | 2 | 1.7 | CC(=O)C(C)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL353023 | 119837 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 193 | 3 | 0 | 2 | 1.7 | CC(=O)C(C)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 14058518 | 11058 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 0.8 | COc1noc2c1C[N+](C)(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1178388 | 11058 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 0.8 | COc1noc2c1C[N+](C)(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL25649 | 11058 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 0.8 | COc1noc2c1C[N+](C)(C)CC2 | 10.1021/jm00402a010 | ||
| 11396245 | 154571 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 428 | 4 | 1 | 9 | 1.3 | CC#CCn1c(N2CCNCC2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| CHEMBL401971 | 154571 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 428 | 4 | 1 | 9 | 1.3 | CC#CCn1c(N2CCNCC2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| 2774 | 3807 | 92 | None | -1 | 10 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 5593 | 3807 | 92 | None | -1 | 10 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 7319 | 3807 | 92 | None | -1 | 10 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| CHEMBL1200604 | 3807 | 92 | None | -1 | 10 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB00809 | 3807 | 92 | None | -1 | 10 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB01199 | 3807 | 92 | None | -1 | 10 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 67548544 | 120369 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 559 | 8 | 0 | 3 | 7.1 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCOc3ccc(-c4ccccc4)cc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401656 | 120369 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 559 | 8 | 0 | 3 | 7.1 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCOc3ccc(-c4ccccc4)cc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559205 | 120369 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 559 | 8 | 0 | 3 | 7.1 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCOc3ccc(-c4ccccc4)cc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| 44364736 | 40111 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.5 | COC(=O)C1CC2CC1N(C)C2 | 10.1016/S0960-894X(00)80178-X | ||
| CHEMBL148154 | 40111 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.5 | COC(=O)C1CC2CC1N(C)C2 | 10.1016/S0960-894X(00)80178-X | ||
| 1016 | 3690 | 75 | None | -12 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3690 | 75 | None | -12 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3690 | 75 | None | -12 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3690 | 75 | None | -12 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3690 | 75 | None | -12 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3690 | 75 | None | -12 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 10573693 | 11325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180305 | 11325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL120963 | 11325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| 14211056 | 106679 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL316309 | 106679 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 59835780 | 121965 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 448 | 5 | 0 | 3 | 6.1 | CC1CCN(CCOc2ccc(C#Cc3ncc(-c4ccc(Cl)cc4)cc3F)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| CHEMBL3601021 | 121965 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 448 | 5 | 0 | 3 | 6.1 | CC1CCN(CCOc2ccc(C#Cc3ncc(-c4ccc(Cl)cc4)cc3F)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| 44328717 | 11255 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 251 | 5 | 0 | 6 | 1.1 | COc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179727 | 11255 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 251 | 5 | 0 | 6 | 1.1 | COc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL97208 | 11255 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 251 | 5 | 0 | 6 | 1.1 | COc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 10176679 | 133086 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 209 | 3 | 0 | 4 | 0.8 | CCN1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL37132 | 133086 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 209 | 3 | 0 | 4 | 0.8 | CCN1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 44456864 | 157682 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL408822 | 157682 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 59835758 | 121966 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 432 | 6 | 1 | 4 | 4.6 | OC[C@H]1CCCN1CCOc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1 | 10.1016/j.bmcl.2015.05.077 | ||
| CHEMBL3601022 | 121966 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 432 | 6 | 1 | 4 | 4.6 | OC[C@H]1CCCN1CCOc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1 | 10.1016/j.bmcl.2015.05.077 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| 15180167 | 203160 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 7 | 0 | 6 | 2.6 | CCCCCCS(=O)(=O)c1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL75704 | 203160 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 7 | 0 | 6 | 2.6 | CCCCCCS(=O)(=O)c1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 67547662 | 120372 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 7 | 2 | 3 | 4.2 | CN(CCC[N+]12CCC(CC1)[C@@H](NC(=O)C1(O)c3ccccc3-c3ccccc31)C2)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401653 | 120372 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 7 | 2 | 3 | 4.2 | CN(CCC[N+]12CCC(CC1)[C@@H](NC(=O)C1(O)c3ccccc3-c3ccccc31)C2)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559210 | 120372 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 7 | 2 | 3 | 4.2 | CN(CCC[N+]12CCC(CC1)[C@@H](NC(=O)C1(O)c3ccccc3-c3ccccc31)C2)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| 2600 | 3720 | 73 | None | - | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1021/jm00020a018 | ||
| 2608 | 3720 | 73 | None | - | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1021/jm00020a018 | ||
| 5405 | 3720 | 73 | None | - | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1021/jm00020a018 | ||
| CHEMBL17157 | 3720 | 73 | None | - | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1021/jm00020a018 | ||
| DB00342 | 3720 | 73 | None | - | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1021/jm00020a018 | ||
| 10516408 | 11336 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180330 | 11336 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL122353 | 11336 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 12488 | 1627 | 51 | None | -11 | 23 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 941361 | 1627 | 51 | None | -11 | 23 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| CHEMBL30008 | 1627 | 51 | None | -11 | 23 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| DB04841 | 1627 | 51 | None | -11 | 23 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 10096344 | 89164 | 80 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL237500 | 89164 | 80 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1021/jm701280z | ||
| 10096344 | 89164 | 80 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1016/j.bmcl.2011.11.054 | ||
| CHEMBL237500 | 89164 | 80 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1016/j.bmcl.2011.11.054 | ||
| 44328817 | 11258 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 265 | 5 | 0 | 6 | 1.5 | COc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179732 | 11258 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 265 | 5 | 0 | 6 | 1.5 | COc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL97297 | 11258 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 265 | 5 | 0 | 6 | 1.5 | COc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 9798900 | 62806 | 0 | None | - | 3 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779047 | 62806 | 0 | None | - | 3 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789446 | 62806 | 0 | None | - | 3 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 54586745 | 62810 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 523 | 8 | 0 | 2 | 6.8 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCCc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779138 | 62810 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 523 | 8 | 0 | 2 | 6.8 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCCc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789461 | 62810 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 523 | 8 | 0 | 2 | 6.8 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCCc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 15180160 | 11213 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 311 | 8 | 0 | 5 | 4.3 | CCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179383 | 11213 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 311 | 8 | 0 | 5 | 4.3 | CCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73338 | 11213 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 311 | 8 | 0 | 5 | 4.3 | CCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 11306852 | 13911 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 434 | 8 | 1 | 3 | 5.0 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C1(O)c3ccccc3-c3ccccc31)C2 | 10.1021/jm900132z | ||
| CHEMBL1197250 | 13911 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 434 | 8 | 1 | 3 | 5.0 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C1(O)c3ccccc3-c3ccccc31)C2 | 10.1021/jm900132z | ||
| CHEMBL563996 | 13911 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 434 | 8 | 1 | 3 | 5.0 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C1(O)c3ccccc3-c3ccccc31)C2 | 10.1021/jm900132z | ||
| 11968014 | 12649 | 4 | None | -5 | 9 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm501173q | ||
| CHEMBL1187846 | 12649 | 4 | None | -5 | 9 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm501173q | ||
| 3042 | 1386 | 31 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1386 | 31 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1386 | 31 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1386 | 31 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1386 | 31 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 2028 | 2931 | 77 | None | -1 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2931 | 77 | None | -1 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2931 | 77 | None | -1 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2931 | 77 | None | -1 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2931 | 77 | None | -1 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 10017065 | 77486 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@@H]1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL2092949 | 77486 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@@H]1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 10403330 | 17147 | 3 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125732 | 17147 | 3 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| 44380435 | 58471 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 310 | 6 | 1 | 4 | 4.0 | CCCc1cc(NC2CCCN2CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL168753 | 58471 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 310 | 6 | 1 | 4 | 4.0 | CCCc1cc(NC2CCCN2CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 18920317 | 112096 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 309 | 9 | 0 | 5 | 4.0 | CCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL330176 | 112096 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 309 | 9 | 0 | 5 | 4.0 | CCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL72384 | 112096 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 309 | 9 | 0 | 5 | 4.0 | CCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 67547652 | 117279 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 348 | 2 | 0 | 3 | 3.5 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401647 | 117279 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 348 | 2 | 0 | 3 | 3.5 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| 10567372 | 12025 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12025 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12025 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12025 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10522336 | 14961 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL120972 | 14961 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 25070582 | 61125 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 239 | 2 | 1 | 3 | 1.8 | c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770373 | 61125 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 239 | 2 | 1 | 3 | 1.8 | c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| 14054145 | 98175 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL277078 | 98175 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 10096344 | 89164 | 80 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1021/acs.jmedchem.6b00475 | ||
| CHEMBL237500 | 89164 | 80 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | 10.1021/acs.jmedchem.6b00475 | ||
| 44275628 | 11889 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 186 | 0 | 0 | 3 | 0.3 | Cn1oc2c(c1=O)C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1183229 | 11889 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 186 | 0 | 0 | 3 | 0.3 | Cn1oc2c(c1=O)C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL285803 | 11889 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 186 | 0 | 0 | 3 | 0.3 | Cn1oc2c(c1=O)C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 2353 | 100643 | 75 | None | -2 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL12089 | 100643 | 75 | None | -2 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL295124 | 100643 | 75 | None | -2 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| 44456623 | 154903 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 269 | 6 | 1 | 6 | 1.4 | CN1CCC=C(c2nsnc2OCCCCO)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL403829 | 154903 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 269 | 6 | 1 | 6 | 1.4 | CN1CCC=C(c2nsnc2OCCCCO)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 122184671 | 121931 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 420 | 8 | 1 | 4 | 5.8 | Clc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600978 | 121931 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 420 | 8 | 1 | 4 | 5.8 | Clc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 3071777 | 162735 | 2 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 17 | 0 | 6 | 6.5 | CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL418714 | 162735 | 2 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 17 | 0 | 6 | 6.5 | CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 3072512 | 5291 | 2 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 12 | 2 | 10 | 4.3 | CC(C)=NNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| CHEMBL106932 | 5291 | 2 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 12 | 2 | 10 | 4.3 | CC(C)=NNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| 44577946 | 178038 | 0 | None | - | 1 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.5 | CN1CCC=C(C2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL467377 | 178038 | 0 | None | - | 1 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.5 | CN1CCC=C(C2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 11793999 | 12009 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184074 | 12009 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL331516 | 12009 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 54585742 | 62008 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 322 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779031 | 62008 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 322 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 155534327 | 176028 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 572 | 10 | 0 | 8 | 4.8 | C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(/N=N\c2ccc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4470388 | 176028 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 572 | 10 | 0 | 8 | 4.8 | C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(/N=N\c2ccc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4597699 | 176028 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 572 | 10 | 0 | 8 | 4.8 | C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(/N=N\c2ccc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| 3072506 | 5252 | 3 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 13 | 2 | 9 | 4.3 | CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| CHEMBL106782 | 5252 | 3 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 13 | 2 | 9 | 4.3 | CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| 1209 | 1628 | 69 | None | -44 | 31 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 203 | 1628 | 69 | None | -44 | 31 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 3386 | 1628 | 69 | None | -44 | 31 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| CHEMBL41 | 1628 | 69 | None | -44 | 31 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| DB00472 | 1628 | 69 | None | -44 | 31 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 155519667 | 175908 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 420 | 9 | 0 | 6 | 1.4 | C[N+](C)(CC#CCOC1=NOCC1)CCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4447920 | 175908 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 420 | 9 | 0 | 6 | 1.4 | C[N+](C)(CC#CCOC1=NOCC1)CCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4596639 | 175908 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 420 | 9 | 0 | 6 | 1.4 | C[N+](C)(CC#CCOC1=NOCC1)CCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/acs.jmedchem.8b01822 | ||
| 155536123 | 176003 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(/N=N/c2ccccc2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4473087 | 176003 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(/N=N/c2ccccc2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4597476 | 176003 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 377 | 6 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(/N=N/c2ccccc2)cc1 | 10.1021/acs.jmedchem.8b01822 | ||
| 3055 | 1405 | 43 | None | 1 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 313 | 1405 | 43 | None | 1 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 7163 | 1405 | 43 | None | 1 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| CHEMBL936 | 1405 | 43 | None | 1 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| DB01231 | 1405 | 43 | None | 1 | 9 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 16745235 | 121923 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 418 | 8 | 1 | 2 | 7.0 | Clc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)cc2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600970 | 121923 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 418 | 8 | 1 | 2 | 7.0 | Clc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)cc2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 44328747 | 11259 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 232 | 3 | 0 | 6 | 0.8 | N#Cc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179738 | 11259 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 232 | 3 | 0 | 6 | 0.8 | N#Cc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL97581 | 11259 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 232 | 3 | 0 | 6 | 0.8 | N#Cc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 44302793 | 198047 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.9 | COc1cc2c(cc1OC)C1Oc3ccc4[nH]c(C)cc4c3CN1CC2 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL59347 | 198047 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.9 | COc1cc2c(cc1OC)C1Oc3ccc4[nH]c(C)cc4c3CN1CC2 | 10.1016/s0960-894x(98)00351-5 | ||
| 44302776 | 101880 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL303758 | 101880 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10688349 | 12030 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184138 | 12030 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL334194 | 12030 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 44351242 | 117557 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| CHEMBL340435 | 117557 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1OC1CN2CCCC1C2 | 10.1021/jm970125n | ||
| 2683 | 102415 | 24 | None | -1 | 16 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102415 | 24 | None | -1 | 16 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102415 | 24 | None | -1 | 16 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 18920330 | 111004 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL327754 | 111004 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL75552 | 111004 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 18456768 | 62805 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 407 | 8 | 0 | 2 | 5.3 | CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779134 | 62805 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 407 | 8 | 0 | 2 | 5.3 | CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789445 | 62805 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 407 | 8 | 0 | 2 | 5.3 | CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 9882189 | 166879 | 26 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 281 | 4 | 0 | 2 | 3.5 | CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01192 | ||
| CHEMBL4297224 | 166879 | 26 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 281 | 4 | 0 | 2 | 3.5 | CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01192 | ||
| 3072515 | 5123 | 5 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 496 | 12 | 2 | 10 | 5.1 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL106082 | 5123 | 5 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 496 | 12 | 2 | 10 | 5.1 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 10538337 | 12005 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184062 | 12005 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL330885 | 12005 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| 10356006 | 203936 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL81895 | 203936 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 9996901 | 117274 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 3.2 | O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401642 | 117274 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 3.2 | O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 44328836 | 11267 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 260 | 4 | 0 | 6 | 1.4 | N#Cc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179772 | 11267 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 260 | 4 | 0 | 6 | 1.4 | N#Cc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL99244 | 11267 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 260 | 4 | 0 | 6 | 1.4 | N#Cc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 15033742 | 203187 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 237 | 5 | 0 | 5 | 2.0 | CCCCOc1nonc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL75907 | 203187 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 237 | 5 | 0 | 5 | 2.0 | CCCCOc1nonc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| 15033742 | 203187 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 237 | 5 | 0 | 5 | 2.0 | CCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL75907 | 203187 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 237 | 5 | 0 | 5 | 2.0 | CCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 1224 | 1404 | 79 | None | -3 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1404 | 79 | None | -3 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1404 | 79 | None | -3 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1404 | 79 | None | -3 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1404 | 79 | None | -3 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1404 | 79 | None | -3 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 4841 | 67089 | 3 | None | 1 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1889399 | 67089 | 3 | None | 1 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1909073 | 67089 | 3 | None | 1 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| 10358345 | 11337 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180331 | 11337 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL122354 | 11337 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 135515198 | 104271 | 6 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 440 | 2 | 1 | 7 | 3.3 | CN1CCN(C2=Nc3cc(OS(=O)(=O)C(F)(F)F)ccc3Nc3ccccc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL310712 | 104271 | 6 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 440 | 2 | 1 | 7 | 3.3 | CN1CCN(C2=Nc3cc(OS(=O)(=O)C(F)(F)F)ccc3Nc3ccccc32)CC1 | 10.1021/jm991005d | ||
| 135515198 | 104271 | 6 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 440 | 2 | 1 | 7 | 3.3 | CN1CCN(C2=Nc3cc(OS(=O)(=O)C(F)(F)F)ccc3Nc3ccccc32)CC1 | 10.1021/jm9704457 | ||
| CHEMBL310712 | 104271 | 6 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 440 | 2 | 1 | 7 | 3.3 | CN1CCN(C2=Nc3cc(OS(=O)(=O)C(F)(F)F)ccc3Nc3ccccc32)CC1 | 10.1021/jm9704457 | ||
| 10657039 | 117014 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 229 | 6 | 1 | 6 | 1.1 | CCCCOc1nsnc1OC1CNC1 | 10.1021/jm970125n | ||
| CHEMBL340021 | 117014 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 229 | 6 | 1 | 6 | 1.1 | CCCCOc1nsnc1OC1CNC1 | 10.1021/jm970125n | ||
| 290 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| 290 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| 44328693 | 11250 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 251 | 4 | 0 | 6 | 1.3 | COc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179707 | 11250 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 251 | 4 | 0 | 6 | 1.3 | COc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL95518 | 11250 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 251 | 4 | 0 | 6 | 1.3 | COc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 10596353 | 19173 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 260 | 8 | 0 | 5 | 1.8 | CCCCOc1nsnc1OCC[N+](C)(C)C | 10.1021/jm970125n | ||
| CHEMBL129152 | 19173 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 260 | 8 | 0 | 5 | 1.8 | CCCCOc1nsnc1OCC[N+](C)(C)C | 10.1021/jm970125n | ||
| 302 | 2929 | 23 | None | -20 | 7 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(01)80787-3 | ||
| 4630 | 2929 | 23 | None | -20 | 7 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL7634 | 2929 | 23 | None | -20 | 7 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(01)80787-3 | ||
| 10800287 | 19232 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 243 | 6 | 1 | 6 | 1.5 | CCCCOc1nsnc1OC1CCNC1 | 10.1021/jm970125n | ||
| CHEMBL129474 | 19232 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 243 | 6 | 1 | 6 | 1.5 | CCCCOc1nsnc1OC1CCNC1 | 10.1021/jm970125n | ||
| 44328693 | 11250 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 251 | 4 | 0 | 6 | 1.3 | COc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179707 | 11250 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 251 | 4 | 0 | 6 | 1.3 | COc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL95518 | 11250 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 251 | 4 | 0 | 6 | 1.3 | COc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 10468765 | 11978 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 1.5 | Clc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183831 | 11978 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 1.5 | Clc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL320221 | 11978 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 241 | 3 | 0 | 5 | 1.5 | Clc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 302 | 2929 | 23 | None | 3 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 4630 | 2929 | 23 | None | 3 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL7634 | 2929 | 23 | None | 3 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 5318 | 15400 | 44 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15400 | 44 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15400 | 44 | None | -1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 15033732 | 120275 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 251 | 5 | 0 | 3 | 3.6 | CCCCOc1cscc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL355465 | 120275 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 251 | 5 | 0 | 3 | 3.6 | CCCCOc1cscc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| 10828627 | 102689 | 18 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 308 | 0 | 2 | 5 | 2.8 | CN1CCN(C2=Nc3ccccc3Nc3ccc(O)cc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL308090 | 102689 | 18 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 308 | 0 | 2 | 5 | 2.8 | CN1CCN(C2=Nc3ccccc3Nc3ccc(O)cc32)CC1 | 10.1021/jm991005d | ||
| 10828627 | 102689 | 18 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 308 | 0 | 2 | 5 | 2.8 | CN1CCN(C2=Nc3ccccc3Nc3ccc(O)cc32)CC1 | 10.1021/jm9704457 | ||
| CHEMBL308090 | 102689 | 18 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 308 | 0 | 2 | 5 | 2.8 | CN1CCN(C2=Nc3ccccc3Nc3ccc(O)cc32)CC1 | 10.1021/jm9704457 | ||
| 10686494 | 100072 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL291351 | 100072 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 195165 | 58669 | 4 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 324 | 4 | 1 | 5 | 2.4 | c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL168972 | 58669 | 4 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 324 | 4 | 1 | 5 | 2.4 | c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2 | 10.1016/S0960-894X(00)80540-5 | ||
| 46884062 | 8274 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 296 | 5 | 1 | 3 | 4.2 | CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1 | 10.1016/j.bmcl.2010.01.134 | ||
| CHEMBL1093044 | 8274 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 296 | 5 | 1 | 3 | 4.2 | CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1 | 10.1016/j.bmcl.2010.01.134 | ||
| 5983 | 205684 | 48 | None | - | 0 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 275 | 1 | 1 | 4 | 1.8 | CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C | 10.1021/jm00095a008 | ||
| CHEMBL94 | 205684 | 48 | None | - | 0 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 275 | 1 | 1 | 4 | 1.8 | CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C | 10.1021/jm00095a008 | ||
| 5983 | 205684 | 48 | None | - | 0 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 275 | 1 | 1 | 4 | 1.8 | CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C | 10.1021/jm00084a015 | ||
| CHEMBL94 | 205684 | 48 | None | - | 0 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 275 | 1 | 1 | 4 | 1.8 | CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C | 10.1021/jm00084a015 | ||
| 122184672 | 121932 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 404 | 8 | 1 | 4 | 5.3 | Fc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600979 | 121932 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 404 | 8 | 1 | 4 | 5.3 | Fc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 14936861 | 102630 | 3 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00100a005 | ||
| CHEMBL307645 | 102630 | 3 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00100a005 | ||
| 14936861 | 102630 | 3 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00090a019 | ||
| CHEMBL307645 | 102630 | 3 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 215 | 1 | 0 | 4 | 1.9 | CN1CCC=C(c2nsnc2Cl)C1 | 10.1021/jm00090a019 | ||
| 44302788 | 198938 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 378 | 2 | 1 | 5 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL59939 | 198938 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 378 | 2 | 1 | 5 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10082734 | 10057 | 1 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 233 | 3 | 0 | 4 | 1.7 | CCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL115803 | 10057 | 1 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 233 | 3 | 0 | 4 | 1.7 | CCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 135493554 | 202459 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 386 | 2 | 1 | 7 | 2.4 | CN1CCN(C2=Nc3cc(OS(C)(=O)=O)ccc3Nc3ccccc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL70609 | 202459 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 386 | 2 | 1 | 7 | 2.4 | CN1CCN(C2=Nc3cc(OS(C)(=O)=O)ccc3Nc3ccccc32)CC1 | 10.1021/jm991005d | ||
| 15462439 | 117546 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 277 | 6 | 0 | 5 | 2.1 | CCCCOc1nccnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL340402 | 117546 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 277 | 6 | 0 | 5 | 2.1 | CCCCOc1nccnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 10641009 | 11321 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180292 | 11321 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120472 | 11321 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 3072509 | 5497 | 2 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 486 | 13 | 2 | 10 | 4.5 | CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL107673 | 5497 | 2 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 486 | 13 | 2 | 10 | 4.5 | CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 118719922 | 115275 | 0 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115275 | 0 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 3072504 | 5735 | 7 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 395 | 10 | 2 | 9 | 3.1 | CN(C)Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL107892 | 5735 | 7 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 395 | 10 | 2 | 9 | 3.1 | CN(C)Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 5747382 | 108716 | 2 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 11 | 3 | 10 | 2.8 | CN(C)Cc1ccc(CSCCNc2cc(NN)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL321605 | 108716 | 2 | None | - | 1 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 11 | 3 | 10 | 2.8 | CN(C)Cc1ccc(CSCCNc2cc(NN)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 19612616 | 154518 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 255 | 5 | 1 | 6 | 1.0 | CN1CCC=C(c2nsnc2OCCCO)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL401694 | 154518 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 255 | 5 | 1 | 6 | 1.0 | CN1CCC=C(c2nsnc2OCCCO)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44328812 | 11976 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 299 | 4 | 0 | 5 | 1.9 | Brc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183791 | 11976 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 299 | 4 | 0 | 5 | 1.9 | Brc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL317931 | 11976 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 299 | 4 | 0 | 5 | 1.9 | Brc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 45270350 | 193404 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 434 | 6 | 0 | 4 | 5.7 | CN(CC1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| CHEMBL549598 | 193404 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 434 | 6 | 0 | 4 | 5.7 | CN(CC1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| 15011831 | 40115 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.5 | COC(=O)[C@@H]1C[C@@H]2C[C@H]1N(C)C2 | 10.1016/S0960-894X(00)80178-X | ||
| CHEMBL148156 | 40115 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.5 | COC(=O)[C@@H]1C[C@@H]2C[C@H]1N(C)C2 | 10.1016/S0960-894X(00)80178-X | ||
| 15521599 | 202833 | 6 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 1 | 1 | 5 | 3.1 | COc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1N2 | 10.1021/jm991005d | ||
| CHEMBL72794 | 202833 | 6 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 1 | 1 | 5 | 3.1 | COc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1N2 | 10.1021/jm991005d | ||
| 15521599 | 202833 | 6 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 1 | 1 | 5 | 3.1 | COc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1N2 | 10.1021/jm9704457 | ||
| CHEMBL72794 | 202833 | 6 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 1 | 1 | 5 | 3.1 | COc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1N2 | 10.1021/jm9704457 | ||
| 9903030 | 62019 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 4 | 0 | 3 | 4.2 | Cc1ccc(N(Cc2ccccc2)C(=O)O[C@H]2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779042 | 62019 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 4 | 0 | 3 | 4.2 | Cc1ccc(N(Cc2ccccc2)C(=O)O[C@H]2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 4189 | 205195 | 91 | None | -14 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 205195 | 91 | None | -14 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 205195 | 91 | None | -14 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 44456549 | 155989 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 296 | 8 | 1 | 6 | 2.2 | CN1CCC=C(c2nsnc2OCCCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL406802 | 155989 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 296 | 8 | 1 | 6 | 2.2 | CN1CCC=C(c2nsnc2OCCCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44456864 | 157682 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL408822 | 157682 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 15750153 | 4505 | 3 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 189 | 1 | 0 | 3 | 1.3 | c1cnc(C2CN3CCC2CC3)cn1 | 10.1021/jm00018a007 | ||
| CHEMBL102560 | 4505 | 3 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 189 | 1 | 0 | 3 | 1.3 | c1cnc(C2CN3CCC2CC3)cn1 | 10.1021/jm00018a007 | ||
| 44343726 | 168934 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@H]1CN2CCCC1C2 | 10.1021/jm00018a007 | ||
| CHEMBL443282 | 168934 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1[C@H]1CN2CCCC1C2 | 10.1021/jm00018a007 | ||
| 18920330 | 111004 | 1 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL327754 | 111004 | 1 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL75552 | 111004 | 1 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 9928160 | 11960 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.8 | CCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1183640 | 11960 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.8 | CCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308772 | 11960 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.8 | CCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 18920330 | 111004 | 1 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL327754 | 111004 | 1 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL75552 | 111004 | 1 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 11968014 | 12649 | 4 | None | -5 | 9 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm501173q | ||
| CHEMBL1187846 | 12649 | 4 | None | -5 | 9 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm501173q | ||
| 10403330 | 17147 | 3 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125732 | 17147 | 3 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 22730942 | 17922 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| CHEMBL126846 | 17922 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| 10053614 | 120367 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 483 | 9 | 2 | 5 | 4.2 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401651 | 120367 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 483 | 9 | 2 | 5 | 4.2 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559203 | 120367 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 483 | 9 | 2 | 5 | 4.2 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 10039819 | 10942 | 1 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL117666 | 10942 | 1 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 1734 | 116 | 8 | None | -1 | 12 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 307 | 116 | 8 | None | -1 | 12 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL168067 | 116 | 8 | None | -1 | 12 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 132658 | 4511 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 223 | 1 | 0 | 3 | 1.9 | Clc1cncc(C2CN3CCC2CC3)n1 | 10.1021/jm00018a007 | ||
| CHEMBL102588 | 4511 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 223 | 1 | 0 | 3 | 1.9 | Clc1cncc(C2CN3CCC2CC3)n1 | 10.1021/jm00018a007 | ||
| 132658 | 4511 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 223 | 1 | 0 | 3 | 1.9 | Clc1cncc(C2CN3CCC2CC3)n1 | 10.1021/jm00018a007 | ||
| CHEMBL102588 | 4511 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 223 | 1 | 0 | 3 | 1.9 | Clc1cncc(C2CN3CCC2CC3)n1 | 10.1021/jm00018a007 | ||
| 10062394 | 2998 | 1 | None | - | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 304 | 2998 | 1 | None | - | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| CHEMBL130715 | 2998 | 1 | None | - | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 10062394 | 2998 | 1 | None | - | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 304 | 2998 | 1 | None | - | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| CHEMBL130715 | 2998 | 1 | None | - | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 11678378 | 120373 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 7 | 1 | 3 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401654 | 120373 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 7 | 1 | 3 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559211 | 120373 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 7 | 1 | 3 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| 10567372 | 12025 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12025 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12025 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12025 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 71454411 | 78040 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2cccnc2N(C(=O)C[C@H]2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL2111621 | 78040 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2cccnc2N(C(=O)C[C@H]2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 10317304 | 57521 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 5.3 | CCN(CC)C(C)(C)CNc1cc(-c2ccccc2)c(-c2ccccc2)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL167016 | 57521 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 374 | 8 | 1 | 4 | 5.3 | CCN(CC)C(C)(C)CNc1cc(-c2ccccc2)c(-c2ccccc2)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| 18920317 | 112096 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 309 | 9 | 0 | 5 | 4.0 | CCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL330176 | 112096 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 309 | 9 | 0 | 5 | 4.0 | CCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL72384 | 112096 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 309 | 9 | 0 | 5 | 4.0 | CCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 15678727 | 119945 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 338 | 8 | 1 | 4 | 4.6 | CCN(CC)C(C)(C)CNc1cc(C2CC2)c(-c2ccccc2)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL353952 | 119945 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 338 | 8 | 1 | 4 | 4.6 | CCN(CC)C(C)(C)CNc1cc(C2CC2)c(-c2ccccc2)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| 14700611 | 120266 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 312 | 9 | 1 | 4 | 3.9 | CCCc1cc(NCCN(CC)CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL355400 | 120266 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 312 | 9 | 1 | 4 | 3.9 | CCCc1cc(NCCN(CC)CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 44275683 | 98825 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 187 | 2 | 0 | 2 | 1.1 | CCOC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL281944 | 98825 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 187 | 2 | 0 | 2 | 1.1 | CCOC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL541666 | 98825 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 187 | 2 | 0 | 2 | 1.1 | CCOC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| 44392087 | 63175 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 547 | 11 | 0 | 4 | 5.0 | CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL179993 | 63175 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 547 | 11 | 0 | 4 | 5.0 | CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44517702 | 8564 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 320 | 2 | 0 | 3 | 2.4 | CN1CCC=C(C2CN(C(=O)c3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| CHEMBL1095288 | 8564 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 320 | 2 | 0 | 3 | 2.4 | CN1CCC=C(C2CN(C(=O)c3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| 11971340 | 43332 | 1 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 304 | 5 | 1 | 6 | 2.3 | Cc1cc(-c2cccs2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL150913 | 43332 | 1 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 304 | 5 | 1 | 6 | 2.3 | Cc1cc(-c2cccs2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| 3072503 | 4797 | 6 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 353 | 9 | 1 | 6 | 3.7 | CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL104355 | 4797 | 6 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 353 | 9 | 1 | 6 | 3.7 | CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 9980157 | 121925 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 6.6 | O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600972 | 121925 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 6.6 | O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 10778750 | 163406 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| CHEMBL420781 | 163406 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| 10549581 | 11344 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180349 | 11344 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL123198 | 11344 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| 10515352 | 105694 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL313749 | 105694 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10080742 | 204643 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 166 | 3 | 0 | 3 | 0.9 | C=CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL87485 | 204643 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 166 | 3 | 0 | 3 | 0.9 | C=CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 44328820 | 11865 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 237 | 4 | 0 | 6 | 0.9 | COc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1182987 | 11865 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 237 | 4 | 0 | 6 | 0.9 | COc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL274822 | 11865 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 237 | 4 | 0 | 6 | 0.9 | COc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 44302900 | 201110 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 4.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL62251 | 201110 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 4.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| 44456864 | 157682 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL408822 | 157682 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 7 | 0 | 6 | 2.9 | CN1CCC=C(c2nsnc2OCCCCn2cccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 10596353 | 19173 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 260 | 8 | 0 | 5 | 1.8 | CCCCOc1nsnc1OCC[N+](C)(C)C | 10.1021/jm970125n | ||
| CHEMBL129152 | 19173 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 260 | 8 | 0 | 5 | 1.8 | CCCCOc1nsnc1OCC[N+](C)(C)C | 10.1021/jm970125n | ||
| 3071776 | 24345 | 2 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 16 | 0 | 6 | 6.1 | CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL13426 | 24345 | 2 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 16 | 0 | 6 | 6.1 | CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 44275648 | 11879 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 186 | 1 | 0 | 3 | 1.0 | COc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1183077 | 11879 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 186 | 1 | 0 | 3 | 1.0 | COc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL278618 | 11879 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 186 | 1 | 0 | 3 | 1.0 | COc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 44265375 | 204427 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 208 | 2 | 0 | 4 | 0.8 | C(#CCN1CCCC1)COC1=NOCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL8610 | 204427 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 208 | 2 | 0 | 4 | 0.8 | C(#CCN1CCCC1)COC1=NOCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 2335 | 11743 | 21 | None | -1 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 11743 | 21 | None | -1 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 11743 | 21 | None | -1 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 11743 | 21 | None | -1 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 122184670 | 121926 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 8 | 0 | 2 | 7.1 | CN(CCCc1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600973 | 121926 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 8 | 0 | 2 | 7.1 | CN(CCCc1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 10825055 | 19267 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 257 | 6 | 0 | 6 | 1.8 | CCCCOc1nsnc1OC1CCN(C)C1 | 10.1021/jm970125n | ||
| CHEMBL129781 | 19267 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 257 | 6 | 0 | 6 | 1.8 | CCCCOc1nsnc1OC1CCN(C)C1 | 10.1021/jm970125n | ||
| 44214356 | 17825 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 311 | 8 | 0 | 6 | 3.0 | CCCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126332 | 17825 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 311 | 8 | 0 | 6 | 3.0 | CCCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 15860348 | 117957 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 283 | 6 | 0 | 6 | 2.2 | CCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL341242 | 117957 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 283 | 6 | 0 | 6 | 2.2 | CCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 44350792 | 16944 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 257 | 3 | 0 | 6 | 1.7 | CSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125518 | 16944 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 257 | 3 | 0 | 6 | 1.7 | CSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 3191 | 102385 | 93 | None | -19 | 25 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102385 | 93 | None | -19 | 25 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 44302775 | 201108 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL62247 | 201108 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 118719921 | 115274 | 0 | None | -1 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354067 | 115274 | 0 | None | -1 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 54586723 | 62015 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 288 | 3 | 0 | 3 | 3.1 | CC(C)N(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779038 | 62015 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 288 | 3 | 0 | 3 | 3.1 | CC(C)N(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 15180165 | 11214 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 293 | 8 | 0 | 4 | 4.2 | CCCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179384 | 11214 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 293 | 8 | 0 | 4 | 4.2 | CCCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73408 | 11214 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 293 | 8 | 0 | 4 | 4.2 | CCCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10082470 | 52437 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL15944 | 52437 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308608 | 52437 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10367502 | 89163 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 471 | 4 | 1 | 9 | 1.8 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)cc3ccccc13)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL237499 | 89163 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 471 | 4 | 1 | 9 | 1.8 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)cc3ccccc13)c(=O)n2C | 10.1021/jm701280z | ||
| 3072505 | 108085 | 2 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 409 | 11 | 2 | 9 | 3.5 | CNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| CHEMBL320291 | 108085 | 2 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 409 | 11 | 2 | 9 | 3.5 | CNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| 44275626 | 11061 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 214 | 2 | 0 | 3 | 1.8 | CC(C)Oc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1178434 | 11061 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 214 | 2 | 0 | 3 | 1.8 | CC(C)Oc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL28033 | 11061 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 214 | 2 | 0 | 3 | 1.8 | CC(C)Oc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 189509 | 105520 | 10 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL313227 | 105520 | 10 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 44328834 | 11271 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 1.8 | Clc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL100209 | 11271 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 1.8 | Clc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179796 | 11271 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 1.8 | Clc1cc(CO/N=C/C2CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 10016259 | 10702 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 275 | 7 | 1 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCCNC1 | 10.1021/jm00018a007 | ||
| CHEMBL117193 | 10702 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 275 | 7 | 1 | 4 | 3.2 | CCCCCCOc1nccnc1C1=CCCCNC1 | 10.1021/jm00018a007 | ||
| 10825055 | 19267 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 257 | 6 | 0 | 6 | 1.8 | CCCCOc1nsnc1OC1CCN(C)C1 | 10.1021/jm970125n | ||
| CHEMBL129781 | 19267 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 257 | 6 | 0 | 6 | 1.8 | CCCCOc1nsnc1OC1CCN(C)C1 | 10.1021/jm970125n | ||
| 10085681 | 21292 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 291 | 7 | 0 | 4 | 3.9 | CCCCCCSc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL131587 | 21292 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 291 | 7 | 0 | 4 | 3.9 | CCCCCCSc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 15860347 | 17799 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 269 | 5 | 0 | 6 | 1.8 | CCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126193 | 17799 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 269 | 5 | 0 | 6 | 1.8 | CCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 2166 | 3074 | 46 | None | -218 | 8 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| 305 | 3074 | 46 | None | -218 | 8 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| 5910 | 3074 | 46 | None | -218 | 8 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL550 | 3074 | 46 | None | -218 | 8 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| DB01085 | 3074 | 46 | None | -218 | 8 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| 59691704 | 121928 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 434 | 7 | 1 | 3 | 6.0 | O=C(COc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600975 | 121928 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 434 | 7 | 1 | 3 | 6.0 | O=C(COc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 44456576 | 94719 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 282 | 7 | 1 | 6 | 1.8 | CN1CCC=C(c2nsnc2OCCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL255791 | 94719 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 282 | 7 | 1 | 6 | 1.8 | CN1CCC=C(c2nsnc2OCCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 122184704 | 121985 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 462 | 9 | 1 | 5 | 4.4 | CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(-c4ccc(F)cc4)nn3)cc2)CC1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3601045 | 121985 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 462 | 9 | 1 | 5 | 4.4 | CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(-c4ccc(F)cc4)nn3)cc2)CC1 | 10.1016/j.bmcl.2015.05.074 | ||
| 657255 | 197406 | 29 | None | -12 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 197406 | 29 | None | -12 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 10660 | 14298 | 55 | None | -2 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| CHEMBL1200406 | 14298 | 55 | None | -2 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01822 | ||
| 44343668 | 10710 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 2.9 | CCCCCCOc1nccnc1[C@@H]1CN2CCC1C2 | 10.1021/jm00018a007 | ||
| CHEMBL117202 | 10710 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 2.9 | CCCCCCOc1nccnc1[C@@H]1CN2CCC1C2 | 10.1021/jm00018a007 | ||
| 15181802 | 12059 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 7 | 0 | 7 | 3.4 | Cn1c(=O)c2c(ncn2CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)n(C)c1=O | 10.1021/jm00020a018 | ||
| CHEMBL1184199 | 12059 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 7 | 0 | 7 | 3.4 | Cn1c(=O)c2c(ncn2CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)n(C)c1=O | 10.1021/jm00020a018 | ||
| CHEMBL338611 | 12059 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 7 | 0 | 7 | 3.4 | Cn1c(=O)c2c(ncn2CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)n(C)c1=O | 10.1021/jm00020a018 | ||
| 10049758 | 202939 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 2 | 0 | 7 | 3.7 | CN1CCN(C2=Nc3ccccc3Sc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL73589 | 202939 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 2 | 0 | 7 | 3.7 | CN1CCN(C2=Nc3ccccc3Sc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 | 10.1021/jm991005d | ||
| 6410813 | 171284 | 1 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 374 | 7 | 1 | 5 | 3.5 | c1ccc(Cc2cc(-c3ccccc3)nnc2NCCN2CCOCC2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL446894 | 171284 | 1 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 374 | 7 | 1 | 5 | 3.5 | c1ccc(Cc2cc(-c3ccccc3)nnc2NCCN2CCOCC2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 3.3 | pIC50 | = | 3.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2008.03.019 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 3.3 | pIC50 | = | 3.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 3.3 | pIC50 | = | 3.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2008.03.019 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 3.3 | pIC50 | = | 3.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2008.03.019 | ||
| 9904307 | 19263 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 297 | 7 | 0 | 6 | 2.6 | CCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL129764 | 19263 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 297 | 7 | 0 | 6 | 2.6 | CCCCCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 11623756 | 8058 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | CC(c1cccnc1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| CHEMBL1091776 | 8058 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | CC(c1cccnc1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| 5353853 | 17803 | 41 | None | -14 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 9556529 | 17803 | 41 | None | -14 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1262 | 17803 | 41 | None | -14 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 118728611 | 117276 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 1.6 | CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401644 | 117276 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 1.6 | CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 4098 | 32289 | 24 | None | -20 | 11 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32289 | 24 | None | -20 | 11 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32289 | 24 | None | -20 | 11 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| 18920309 | 206618 | 3 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL442369 | 206618 | 3 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL99476 | 206618 | 3 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 18920309 | 206618 | 3 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL442369 | 206618 | 3 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL99476 | 206618 | 3 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 44310167 | 202131 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=CCCN(C)C1C | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL68482 | 202131 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=CCCN(C)C1C | 10.1016/S0960-894X(00)80072-4 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 44612797 | 196517 | 0 | None | - | 1 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 365 | 4 | 1 | 4 | 4.1 | CN1CCC=C(C2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| CHEMBL575066 | 196517 | 0 | None | - | 1 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 365 | 4 | 1 | 4 | 4.1 | CN1CCC=C(C2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| 10547222 | 114288 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333940 | 114288 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10848032 | 204373 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 246 | 2 | 0 | 4 | 1.8 | C(#Cc1ccsc1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL85645 | 204373 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 246 | 2 | 0 | 4 | 1.8 | C(#Cc1ccsc1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 2284 | 3133 | 27 | None | -12 | 28 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3133 | 27 | None | -12 | 28 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3133 | 27 | None | -12 | 28 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3133 | 27 | None | -12 | 28 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3133 | 27 | None | -12 | 28 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 44328734 | 12000 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.6 | Brc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183998 | 12000 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.6 | Brc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL327626 | 12000 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.6 | Brc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 118719928 | 115282 | 0 | None | -1 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115282 | 0 | None | -1 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 10397133 | 106579 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL315676 | 106579 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 15180161 | 11217 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 9 | 0 | 5 | 4.7 | CCCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179394 | 11217 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 9 | 0 | 5 | 4.7 | CCCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73709 | 11217 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 325 | 9 | 0 | 5 | 4.7 | CCCCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 3071771 | 20894 | 3 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 592 | 18 | 2 | 12 | 5.5 | CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00084a015 | ||
| CHEMBL13122 | 20894 | 3 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 592 | 18 | 2 | 12 | 5.5 | CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00084a015 | ||
| 10026300 | 167271 | 15 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 2 | 0 | 7 | 3.3 | CN1CCN(C2=Nc3ccccc3Oc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL430798 | 167271 | 15 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 2 | 0 | 7 | 3.3 | CN1CCN(C2=Nc3ccccc3Oc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL1200633 | 206858 | 3 | None | -4 | 8 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 11777446 | 109704 | 1 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 261 | 5 | 0 | 4 | 2.5 | CCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL323719 | 109704 | 1 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 261 | 5 | 0 | 4 | 2.5 | CCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm970125n | ||
| 44350993 | 167700 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 299 | 6 | 0 | 6 | 2.9 | CCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL433867 | 167700 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 299 | 6 | 0 | 6 | 2.9 | CCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 15033741 | 4283 | 4 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL101054 | 4283 | 4 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL420007 | 4283 | 4 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| 15033741 | 4283 | 4 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL101054 | 4283 | 4 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL420007 | 4283 | 4 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 131460 | 21466 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL131819 | 21466 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL309093 | 21466 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 24749925 | 166792 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 5 | 1 | 9 | 2.4 | CC(C)=CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nccc3ccccc13)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL429450 | 166792 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 5 | 1 | 9 | 2.4 | CC(C)=CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nccc3ccccc13)c(=O)n2C | 10.1021/jm701280z | ||
| 131460 | 21466 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL131819 | 21466 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL309093 | 21466 | 13 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 15033741 | 4283 | 4 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL101054 | 4283 | 4 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL420007 | 4283 | 4 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 18920230 | 161312 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL414874 | 161312 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 18920267 | 202083 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL68160 | 202083 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 18920321 | 202253 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 291 | 4 | 0 | 5 | 2.8 | CCC#CCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL69317 | 202253 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 291 | 4 | 0 | 5 | 2.8 | CCC#CCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 155531961 | 176063 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 644 | 10 | 0 | 8 | 5.3 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N\c2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4514215 | 176063 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 644 | 10 | 0 | 8 | 5.3 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N\c2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4597947 | 176063 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 644 | 10 | 0 | 8 | 5.3 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N\c2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| 10613162 | 118051 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.7 | CCCSc1nsnc1OC12CCCN(CC1)C2 | 10.1021/jm970125n | ||
| CHEMBL341516 | 118051 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.7 | CCCSc1nsnc1OC12CCCN(CC1)C2 | 10.1021/jm970125n | ||
| 22730942 | 17922 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| CHEMBL126846 | 17922 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| 44343667 | 110186 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 2.9 | CCCCCCOc1nccnc1[C@H]1CN2CCC1C2 | 10.1021/jm00018a007 | ||
| CHEMBL325964 | 110186 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 2.9 | CCCCCCOc1nccnc1[C@H]1CN2CCC1C2 | 10.1021/jm00018a007 | ||
| 2745 | 3800 | 39 | None | -3 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 5572 | 3800 | 39 | None | -3 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 66007 | 3800 | 39 | None | -3 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 7315 | 3800 | 39 | None | -3 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| CHEMBL1490 | 3800 | 39 | None | -3 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| DB00376 | 3800 | 39 | None | -3 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 18920309 | 206618 | 3 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL442369 | 206618 | 3 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL99476 | 206618 | 3 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 18920309 | 206618 | 3 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL442369 | 206618 | 3 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL99476 | 206618 | 3 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 225 | 3 | 0 | 5 | 1.7 | CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 21708611 | 19272 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.5 | CCCSc1nsnc1C1CN2CCC1C2 | 10.1021/jm970125n | ||
| CHEMBL129821 | 19272 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.5 | CCCSc1nsnc1C1CN2CCC1C2 | 10.1021/jm970125n | ||
| 3067217 | 60969 | 2 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 356 | 2 | 1 | 5 | 2.2 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cscc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17671 | 60969 | 2 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 356 | 2 | 1 | 5 | 2.2 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cscc32)CC1 | 10.1021/jm00401a016 | ||
| 14054136 | 60040 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 2.7 | CN(C)CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL17460 | 60040 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 2.7 | CN(C)CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 14126160 | 58783 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 310 | 6 | 1 | 4 | 3.4 | CCN(CC)CCNc1cc2c(nn1)-c1ccccc1CCC2 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL169663 | 58783 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 310 | 6 | 1 | 4 | 3.4 | CCN(CC)CCNc1cc2c(nn1)-c1ccccc1CCC2 | 10.1016/S0960-894X(00)80540-5 | ||
| 15678735 | 119931 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.6 | CCCc1nnc(NCC(C)(C)N(CC)CC)cc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL353869 | 119931 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.6 | CCCc1nnc(NCC(C)(C)N(CC)CC)cc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 24750278 | 88994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 6 | 1 | 9 | 1.7 | CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL237067 | 88994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 6 | 1 | 9 | 1.7 | CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/jm701280z | ||
| 24750278 | 88994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 6 | 1 | 9 | 1.7 | CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/acs.jmedchem.6b00475 | ||
| CHEMBL237067 | 88994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 6 | 1 | 9 | 1.7 | CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/acs.jmedchem.6b00475 | ||
| 44381036 | 57528 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 268 | 6 | 1 | 2 | 4.0 | Cc1cc(NCCCN(C)C)ccc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL167057 | 57528 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 268 | 6 | 1 | 2 | 4.0 | Cc1cc(NCCCN(C)C)ccc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 24739886 | 187286 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 469 | 6 | 1 | 3 | 4.2 | NC(=O)CN1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| CHEMBL496376 | 187286 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 469 | 6 | 1 | 3 | 4.2 | NC(=O)CN1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| 71283628 | 145130 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 500 | 7 | 2 | 8 | 3.3 | Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12 | 10.1021/acs.jmedchem.6b00703 | ||
| CHEMBL3915941 | 145130 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 500 | 7 | 2 | 8 | 3.3 | Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12 | 10.1021/acs.jmedchem.6b00703 | ||
| 49853884 | 90252 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| CHEMBL2391353 | 90252 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| 44302813 | 101460 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 362 | 2 | 1 | 4 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL301041 | 101460 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 362 | 2 | 1 | 4 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 656392 | 183218 | 2 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 255 | 5 | 1 | 4 | 1.4 | CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 | 10.1021/np049650x | ||
| CHEMBL480464 | 183218 | 2 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 255 | 5 | 1 | 4 | 1.4 | CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 | 10.1021/np049650x | ||
| 14211052 | 204810 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 240 | 3 | 0 | 4 | 2.7 | CC[C@H]1C(=S)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL88578 | 204810 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 240 | 3 | 0 | 4 | 2.7 | CC[C@H]1C(=S)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 10375506 | 119542 | 9 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 199 | 3 | 0 | 3 | 2.4 | C=Cc1cccn1N(C)c1ccncc1 | 10.1021/jm950644v | ||
| CHEMBL350442 | 119542 | 9 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 199 | 3 | 0 | 3 | 2.4 | C=Cc1cccn1N(C)c1ccncc1 | 10.1021/jm950644v | ||
| 59691661 | 121930 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 433 | 6 | 2 | 2 | 6.3 | O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600977 | 121930 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 433 | 6 | 2 | 2 | 6.3 | O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 15021362 | 205086 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 207 | 3 | 1 | 3 | 0.7 | CC[C@@H]1C(=O)NC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL90409 | 205086 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 207 | 3 | 1 | 3 | 0.7 | CC[C@@H]1C(=O)NC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 44434115 | 144759 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 436 | 5 | 1 | 9 | 0.9 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL391307 | 144759 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 436 | 5 | 1 | 9 | 0.9 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2C | 10.1021/jm701280z | ||
| 19816 | 57281 | 1 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 153 | 3 | 0 | 2 | 0.9 | CC(=O)CCC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL166736 | 57281 | 1 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 153 | 3 | 0 | 2 | 0.9 | CC(=O)CCC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| 10220374 | 101920 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL303922 | 101920 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL308803 | 101920 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 239 | 4 | 0 | 5 | 2.0 | CCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44456863 | 97453 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL272468 | 97453 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 10392705 | 120368 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 9 | 1 | 4 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401652 | 120368 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 9 | 1 | 4 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559204 | 120368 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 9 | 1 | 4 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 3072508 | 107002 | 3 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 15 | 2 | 11 | 3.6 | CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL318517 | 107002 | 3 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 15 | 2 | 11 | 3.6 | CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 44275680 | 11059 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 200 | 2 | 0 | 3 | 1.4 | CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1178406 | 11059 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 200 | 2 | 0 | 3 | 1.4 | CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL26932 | 11059 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 200 | 2 | 0 | 3 | 1.4 | CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 11580427 | 194935 | 9 | None | 23 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| CHEMBL564144 | 194935 | 9 | None | 23 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| 44351072 | 17839 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.0 | c1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126383 | 17839 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.0 | c1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 118719921 | 115274 | 0 | None | -1 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354067 | 115274 | 0 | None | -1 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 44456863 | 97453 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL272468 | 97453 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 135514603 | 202414 | 13 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 474 | 2 | 1 | 7 | 4.0 | CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL70319 | 202414 | 13 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 474 | 2 | 1 | 7 | 4.0 | CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 | 10.1021/jm991005d | ||
| 10782462 | 12008 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184068 | 12008 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL330999 | 12008 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 3071779 | 16643 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 444 | 12 | 0 | 6 | 5.9 | CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL12472 | 16643 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 444 | 12 | 0 | 6 | 5.9 | CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1 | 10.1021/jm00084a015 | ||
| 3071775 | 96768 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 424 | 15 | 0 | 6 | 5.7 | CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL268499 | 96768 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 424 | 15 | 0 | 6 | 5.7 | CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 10220392 | 204287 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL84893 | 204287 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10539130 | 106248 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| CHEMBL314420 | 106248 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| 122184698 | 121978 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)C1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3601039 | 121978 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)C1 | 10.1016/j.bmcl.2015.05.074 | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | ||
| 13218688 | 91233 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(NCCN2CCOCC2)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL24083 | 91233 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(NCCN2CCOCC2)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 1353 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm991005d | ||
| 3559 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm991005d | ||
| 86 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm991005d | ||
| CHEMBL54 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm991005d | ||
| DB00502 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm991005d | ||
| 1613 | 2316 | 44 | None | -24 | 44 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm991005d | ||
| 205 | 2316 | 44 | None | -24 | 44 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm991005d | ||
| 3964 | 2316 | 44 | None | -24 | 44 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm991005d | ||
| CHEMBL831 | 2316 | 44 | None | -24 | 44 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm991005d | ||
| DB00408 | 2316 | 44 | None | -24 | 44 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1021/jm991005d | ||
| 1353 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9704457 | ||
| 3559 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9704457 | ||
| 86 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9704457 | ||
| CHEMBL54 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9704457 | ||
| DB00502 | 1880 | 85 | None | -812 | 85 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9704457 | ||
| 10949380 | 163471 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 399 | 3 | 1 | 6 | 4.3 | Cc1ccc2nc(O)n(C3CCN(Cc4cc5c(cc4Cl)OCO5)CC3)c2c1 | 10.1021/jm010878g | ||
| CHEMBL420863 | 163471 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 399 | 3 | 1 | 6 | 4.3 | Cc1ccc2nc(O)n(C3CCN(Cc4cc5c(cc4Cl)OCO5)CC3)c2c1 | 10.1021/jm010878g | ||
| 10036553 | 110885 | 1 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 223 | 1 | 0 | 3 | 1.9 | Clc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL327065 | 110885 | 1 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 223 | 1 | 0 | 3 | 1.9 | Clc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 15180165 | 11214 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 293 | 8 | 0 | 4 | 4.2 | CCCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179384 | 11214 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 293 | 8 | 0 | 4 | 4.2 | CCCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73408 | 11214 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 293 | 8 | 0 | 4 | 4.2 | CCCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 3071778 | 162734 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 466 | 18 | 0 | 6 | 6.9 | CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL418712 | 162734 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 466 | 18 | 0 | 6 | 6.9 | CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 49853883 | 90251 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| CHEMBL2391352 | 90251 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| 11386357 | 94916 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 493 | 4 | 1 | 9 | 3.5 | CC#CCn1c(N2CCCC(N)C2)nc2cnn(CC3=Nc4ccccc4Oc4ccccc43)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| CHEMBL256729 | 94916 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 493 | 4 | 1 | 9 | 3.5 | CC#CCn1c(N2CCCC(N)C2)nc2cnn(CC3=Nc4ccccc4Oc4ccccc43)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| 5310989 | 199193 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 378 | 3 | 1 | 5 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL60142 | 199193 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 378 | 3 | 1 | 5 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 15033739 | 119919 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 0 | 4 | 3.0 | CCCCOc1nscc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL353779 | 119919 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 0 | 4 | 3.0 | CCCCOc1nscc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| 9308 | 17572 | 16 | None | -4 | 7 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00079a002 | ||
| CHEMBL1255785 | 17572 | 16 | None | -4 | 7 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00079a002 | ||
| CHEMBL12587 | 17572 | 16 | None | -4 | 7 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00079a002 | ||
| CHEMBL292911 | 17572 | 16 | None | -4 | 7 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00079a002 | ||
| 44328710 | 11269 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 255 | 3 | 0 | 5 | 1.9 | Clc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179775 | 11269 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 255 | 3 | 0 | 5 | 1.9 | Clc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL99310 | 11269 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 255 | 3 | 0 | 5 | 1.9 | Clc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 441383 | 20133 | 54 | None | -4 | 17 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 20133 | 54 | None | -4 | 17 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 44343668 | 10710 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 2.9 | CCCCCCOc1nccnc1[C@@H]1CN2CCC1C2 | 10.1021/jm00018a007 | ||
| CHEMBL117202 | 10710 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 2.9 | CCCCCCOc1nccnc1[C@@H]1CN2CCC1C2 | 10.1021/jm00018a007 | ||
| 10376703 | 21991 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 233 | 4 | 0 | 4 | 2.0 | CCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL132272 | 21991 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 233 | 4 | 0 | 4 | 2.0 | CCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 9860651 | 19250 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 1.9 | CSCCc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL129611 | 19250 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 1.9 | CSCCc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 44456845 | 155156 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 325 | 8 | 0 | 7 | 2.4 | CCOC(=O)CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL405125 | 155156 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 325 | 8 | 0 | 7 | 2.4 | CCOC(=O)CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44310196 | 101675 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 225 | 2 | 0 | 5 | 1.5 | COc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL302515 | 101675 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 225 | 2 | 0 | 5 | 1.5 | COc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 10593954 | 12965 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1190178 | 12965 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL540316 | 12965 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 4011 | 81996 | 43 | None | -17 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81996 | 43 | None | -17 | 23 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 10039819 | 10942 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL117666 | 10942 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 289 | 7 | 0 | 4 | 3.2 | CCCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 10084797 | 9999 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 6 | 0 | 4 | 2.9 | CCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL115473 | 9999 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 6 | 0 | 4 | 2.9 | CCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 18920267 | 202083 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL68160 | 202083 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 18920321 | 202253 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 4 | 0 | 5 | 2.8 | CCC#CCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL69317 | 202253 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 4 | 0 | 5 | 2.8 | CCC#CCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 16104 | 161368 | 15 | None | - | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1 | 10.1021/jm991005d | ||
| CHEMBL415300 | 161368 | 15 | None | - | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1 | 10.1021/jm991005d | ||
| 137125256 | 122535 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 328 | 0 | 1 | 4 | 3.3 | CN1CCN(C2=Nc3cc(F)ccc3Nc3ccc(F)cc32)CC1 | 10.1021/acsmedchemlett.5b00102 | ||
| CHEMBL3609328 | 122535 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 328 | 0 | 1 | 4 | 3.3 | CN1CCN(C2=Nc3cc(F)ccc3Nc3ccc(F)cc32)CC1 | 10.1021/acsmedchemlett.5b00102 | ||
| 16104 | 161368 | 15 | None | - | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1 | 10.1021/jm9704457 | ||
| CHEMBL415300 | 161368 | 15 | None | - | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(C2=Nc3ccccc3Nc3ccc(Cl)cc32)CC1 | 10.1021/jm9704457 | ||
| 118728610 | 117272 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 336 | 4 | 2 | 3 | 2.1 | O=C(N[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401640 | 117272 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 336 | 4 | 2 | 3 | 2.1 | O=C(N[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| 18920353 | 110924 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL327289 | 110924 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL76161 | 110924 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 18920353 | 110924 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL327289 | 110924 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL76161 | 110924 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 8 | 0 | 5 | 3.6 | CCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10403330 | 17147 | 3 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125732 | 17147 | 3 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 44350970 | 19246 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 271 | 4 | 0 | 6 | 2.1 | CCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL129575 | 19246 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 271 | 4 | 0 | 6 | 2.1 | CCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 131460 | 21466 | 13 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL131819 | 21466 | 13 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL309093 | 21466 | 13 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 131460 | 21466 | 13 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL131819 | 21466 | 13 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL309093 | 21466 | 13 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 297 | 7 | 0 | 5 | 3.9 | CCCCCCSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10613162 | 118051 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.7 | CCCSc1nsnc1OC12CCCN(CC1)C2 | 10.1021/jm970125n | ||
| CHEMBL341516 | 118051 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.7 | CCCSc1nsnc1OC12CCCN(CC1)C2 | 10.1021/jm970125n | ||
| 18920225 | 11954 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCC(C)Oc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1183589 | 11954 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCC(C)Oc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL306395 | 11954 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCC(C)Oc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 13271741 | 59220 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 352 | 1 | 2 | 5 | 1.7 | CN1CCN(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17162 | 59220 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 352 | 1 | 2 | 5 | 1.7 | CN1CCN(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 44380435 | 58471 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 310 | 6 | 1 | 4 | 4.0 | CCCc1cc(NC2CCCN2CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL168753 | 58471 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 310 | 6 | 1 | 4 | 4.0 | CCCc1cc(NC2CCCN2CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 15180170 | 102705 | 1 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 280 | 7 | 1 | 5 | 3.2 | CCCCCCNc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308168 | 102705 | 1 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 280 | 7 | 1 | 5 | 3.2 | CCCCCCNc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 15180170 | 102705 | 1 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 280 | 7 | 1 | 5 | 3.2 | CCCCCCNc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL308168 | 102705 | 1 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 280 | 7 | 1 | 5 | 3.2 | CCCCCCNc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 14054137 | 98428 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 338 | 5 | 1 | 4 | 3.0 | CN(C)CCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL279135 | 98428 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 338 | 5 | 1 | 4 | 3.0 | CN(C)CCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 6410811 | 120466 | 7 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 360 | 6 | 1 | 5 | 3.6 | c1ccc(-c2cc(-c3ccccc3)c(NCCN3CCOCC3)nn2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL356224 | 120466 | 7 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 360 | 6 | 1 | 5 | 3.6 | c1ccc(-c2cc(-c3ccccc3)c(NCCN3CCOCC3)nn2)cc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 44310196 | 101675 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 225 | 2 | 0 | 5 | 1.5 | COc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL302515 | 101675 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 225 | 2 | 0 | 5 | 1.5 | COc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 11971342 | 121414 | 1 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.6 | Cc1cc(C2CCCCC2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL359058 | 121414 | 1 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.6 | Cc1cc(C2CCCCC2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| 72119 | 42715 | 27 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 309 | 5 | 1 | 6 | 1.8 | N#Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL150365 | 42715 | 27 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 309 | 5 | 1 | 6 | 1.8 | N#Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| 10686988 | 12083 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184244 | 12083 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL340780 | 12083 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| 10522202 | 11329 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180312 | 11329 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL121385 | 11329 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 44576423 | 172885 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 336 | 3 | 0 | 4 | 1.6 | Cc1ccc(S(=O)(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL452955 | 172885 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 336 | 3 | 0 | 4 | 1.6 | Cc1ccc(S(=O)(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2008.03.019 | ||
| 44302833 | 102028 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(C)c2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL304036 | 102028 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(C)c2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 44456846 | 97331 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 255 | 4 | 1 | 6 | 0.7 | CN1CCC=C(c2nsnc2OCC(=O)O)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL271774 | 97331 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 255 | 4 | 1 | 6 | 0.7 | CN1CCC=C(c2nsnc2OCC(=O)O)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 24749926 | 89066 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 434 | 5 | 1 | 9 | 0.7 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/jm701280z | ||
| CHEMBL237287 | 89066 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 434 | 5 | 1 | 9 | 0.7 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/jm701280z | ||
| 15180167 | 203160 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 329 | 7 | 0 | 6 | 2.6 | CCCCCCS(=O)(=O)c1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL75704 | 203160 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 329 | 7 | 0 | 6 | 2.6 | CCCCCCS(=O)(=O)c1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10759393 | 83965 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL2112589 | 83965 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL2219563 | 83965 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 59691584 | 121929 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 6 | 0 | 2 | 6.7 | CN(C(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600976 | 121929 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 6 | 0 | 2 | 6.7 | CN(C(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 155511781 | 175864 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 6 | 0 | 5 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N/c2c(F)cccc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4460445 | 175864 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 6 | 0 | 5 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N/c2c(F)cccc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4596286 | 175864 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 6 | 0 | 5 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N/c2c(F)cccc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| 44351075 | 18956 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 245 | 2 | 0 | 5 | 1.7 | Clc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL128950 | 18956 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 245 | 2 | 0 | 5 | 1.7 | Clc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 154059 | 3580 | 49 | None | -3 | 8 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 2457 | 3580 | 49 | None | -3 | 8 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 7483 | 3580 | 49 | None | -3 | 8 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1734 | 3580 | 49 | None | -3 | 8 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| DB01591 | 3580 | 49 | None | -3 | 8 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 10851853 | 12082 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184242 | 12082 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL340561 | 12082 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 10937901 | 9817 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | ||
| CHEMBL114379 | 9817 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | ||
| 3071773 | 19210 | 2 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 396 | 13 | 0 | 6 | 4.9 | CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL12937 | 19210 | 2 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 396 | 13 | 0 | 6 | 4.9 | CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 25164129 | 160613 | 0 | None | - | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
| CHEMBL4088036 | 160613 | 0 | None | - | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
| CHEMBL4117406 | 160613 | 0 | None | - | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 12 | 1 | 5 | 4.1 | CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 | 10.1016/j.bmcl.2017.09.020 | ||
| 2267 | 553 | 64 | None | - | 7 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| 271 | 553 | 64 | None | - | 7 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| 7121 | 553 | 64 | None | - | 7 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| CHEMBL639 | 553 | 64 | None | - | 7 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| DB00972 | 553 | 64 | None | - | 7 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | 10.1016/j.bmcl.2017.09.020 | ||
| 3072513 | 6185 | 4 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 471 | 12 | 2 | 9 | 5.2 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL108163 | 6185 | 4 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 471 | 12 | 2 | 9 | 5.2 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 13621567 | 97708 | 7 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 168 | 1 | 0 | 4 | 0.7 | COc1noc2c1CN(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL27384 | 97708 | 7 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 168 | 1 | 0 | 4 | 0.7 | COc1noc2c1CN(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL440085 | 97708 | 7 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 168 | 1 | 0 | 4 | 0.7 | COc1noc2c1CN(C)CC2 | 10.1021/jm00402a010 | ||
| 118719921 | 115274 | 0 | None | -1 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354067 | 115274 | 0 | None | -1 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 44456549 | 155989 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 296 | 8 | 1 | 6 | 2.2 | CN1CCC=C(c2nsnc2OCCCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL406802 | 155989 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 296 | 8 | 1 | 6 | 2.2 | CN1CCC=C(c2nsnc2OCCCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 10376703 | 21991 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 233 | 4 | 0 | 4 | 2.0 | CCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL132272 | 21991 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 233 | 4 | 0 | 4 | 2.0 | CCCOc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 10591874 | 13205 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1192001 | 13205 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL543177 | 13205 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 9854312 | 116541 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 255 | 4 | 0 | 6 | 1.4 | CCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL339081 | 116541 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 255 | 4 | 0 | 6 | 1.4 | CCOc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 44333819 | 4645 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2ccccc2N(C(=O)CC2CCCN3CCCCC23)c2ncccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL103529 | 4645 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2ccccc2N(C(=O)CC2CCCN3CCCCC23)c2ncccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 2230 | 461 | 55 | None | -89 | 10 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| 296 | 461 | 55 | None | -89 | 10 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| CHEMBL7303 | 461 | 55 | None | -89 | 10 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| DB04365 | 461 | 55 | None | -89 | 10 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| 11498 | 2970 | 33 | None | -154 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | ||
| 4995951 | 2970 | 33 | None | -154 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL59898 | 2970 | 33 | None | -154 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | ||
| 9860651 | 19250 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 1.9 | CSCCc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL129611 | 19250 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 1.9 | CSCCc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 44351044 | 19217 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.3 | CCSCc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL129410 | 19217 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.3 | CCSCc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 22730942 | 17922 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| CHEMBL126846 | 17922 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 271 | 5 | 0 | 6 | 2.1 | CCCSc1nsnc1OC1CN2CCC1C2 | 10.1021/jm970125n | ||
| 3055247 | 18742 | 6 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 478 | 14 | 2 | 8 | 3.2 | CN(C)Cc1ccc(CSCCNC(=NC#N)NCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL12858 | 18742 | 6 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 478 | 14 | 2 | 8 | 3.2 | CN(C)Cc1ccc(CSCCNC(=NC#N)NCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 15033733 | 58435 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 279 | 7 | 0 | 3 | 4.4 | CCCCCCOc1cscc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL168581 | 58435 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 279 | 7 | 0 | 3 | 4.4 | CCCCCCOc1cscc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| 59835879 | 121967 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 446 | 6 | 1 | 4 | 4.9 | Cc1cc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)ccc1OCCN1CCC[C@H]1CO | 10.1016/j.bmcl.2015.05.077 | ||
| CHEMBL3601023 | 121967 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 446 | 6 | 1 | 4 | 4.9 | Cc1cc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)ccc1OCCN1CCC[C@H]1CO | 10.1016/j.bmcl.2015.05.077 | ||
| 10538340 | 19244 | 2 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 245 | 8 | 0 | 6 | 1.7 | CCCCOc1nsnc1OCCN(C)C | 10.1021/jm970125n | ||
| CHEMBL129558 | 19244 | 2 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 245 | 8 | 0 | 6 | 1.7 | CCCCOc1nsnc1OCCN(C)C | 10.1021/jm970125n | ||
| 10684720 | 11988 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1183926 | 11988 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL324712 | 11988 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 10369004 | 13576 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 7 | 0 | 8 | 2.5 | Cn1c(=O)c2c(ncn2CCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)c1=O | 10.1021/jm00020a018 | ||
| CHEMBL1194812 | 13576 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 7 | 0 | 8 | 2.5 | Cn1c(=O)c2c(ncn2CCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)c1=O | 10.1021/jm00020a018 | ||
| CHEMBL553331 | 13576 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 7 | 0 | 8 | 2.5 | Cn1c(=O)c2c(ncn2CCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)c1=O | 10.1021/jm00020a018 | ||
| 10499832 | 12029 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184134 | 12029 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL334093 | 12029 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 3072507 | 5178 | 1 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 466 | 14 | 2 | 10 | 3.5 | CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| CHEMBL106348 | 5178 | 1 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 466 | 14 | 2 | 10 | 3.5 | CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| 44577945 | 188874 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.5 | CN1CCC=C(C2CN(C(=S)Nc3ccccc3F)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL513665 | 188874 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.5 | CN1CCC=C(C2CN(C(=S)Nc3ccccc3F)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 6726 | 1254 | 46 | None | -6 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1254 | 46 | None | -6 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1254 | 46 | None | -6 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1254 | 46 | None | -6 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1254 | 46 | None | -6 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 10538340 | 19244 | 2 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 245 | 8 | 0 | 6 | 1.7 | CCCCOc1nsnc1OCCN(C)C | 10.1021/jm970125n | ||
| CHEMBL129558 | 19244 | 2 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 245 | 8 | 0 | 6 | 1.7 | CCCCOc1nsnc1OCCN(C)C | 10.1021/jm970125n | ||
| 3071780 | 18603 | 2 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 520 | 13 | 0 | 6 | 7.5 | CN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(CN(C)C)o4)cc3)cc2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL12781 | 18603 | 2 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 520 | 13 | 0 | 6 | 7.5 | CN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(CN(C)C)o4)cc3)cc2)o1 | 10.1021/jm00084a015 | ||
| 44612793 | 197125 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 254 | 4 | 0 | 3 | 2.0 | CCCCN1C(=O)CSC1C1=CCCN(C)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| CHEMBL583386 | 197125 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 254 | 4 | 0 | 3 | 2.0 | CCCCN1C(=O)CSC1C1=CCCN(C)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| 2812 | 4711 | 96 | None | -20 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4711 | 96 | None | -20 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 10808719 | 12026 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184120 | 12026 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL333125 | 12026 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 14211057 | 110937 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL327363 | 110937 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 107782 | 14330 | 16 | None | -1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| 67151996 | 14330 | 16 | None | -1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| CHEMBL1201207 | 14330 | 16 | None | -1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| 10084797 | 9999 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 6 | 0 | 4 | 2.9 | CCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL115473 | 9999 | 1 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 6 | 0 | 4 | 2.9 | CCCCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 44343667 | 110186 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 2.9 | CCCCCCOc1nccnc1[C@H]1CN2CCC1C2 | 10.1021/jm00018a007 | ||
| CHEMBL325964 | 110186 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 7 | 0 | 4 | 2.9 | CCCCCCOc1nccnc1[C@H]1CN2CCC1C2 | 10.1021/jm00018a007 | ||
| 71452649 | 78085 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1O[C@@H]1CC2CCN(C2)C1 | 10.1021/jm970125n | ||
| CHEMBL2111844 | 78085 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.5 | CCCSc1nsnc1O[C@@H]1CC2CCN(C2)C1 | 10.1021/jm970125n | ||
| 44575653 | 181062 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 327 | 14 | 7 | 4 | 0.4 | N=C(N)NCCCCCCCCC(=O)C(N)CCCNC(=N)N | 10.1021/np50120a004 | ||
| CHEMBL477542 | 181062 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 327 | 14 | 7 | 4 | 0.4 | N=C(N)NCCCCCCCCC(=O)C(N)CCCNC(=N)N | 10.1021/np50120a004 | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80536-3 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80536-3 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80536-3 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80536-3 | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 18920225 | 11954 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCC(C)Oc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1183589 | 11954 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCC(C)Oc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL306395 | 11954 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCC(C)Oc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/S0960-894X(00)80072-4 | ||
| 44310197 | 202369 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.5 | CCCCCCOc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL70051 | 202369 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.5 | CCCCCCOc1nsnc1C1=CC(C)CN(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 100 | 3745 | 52 | None | -2 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3745 | 52 | None | -2 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3745 | 52 | None | -2 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3745 | 52 | None | -2 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3745 | 52 | None | -2 | 55 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 44351073 | 17810 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 327 | 8 | 0 | 6 | 3.7 | CCCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126237 | 17810 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 327 | 8 | 0 | 6 | 3.7 | CCCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 13269694 | 59136 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17120 | 59136 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 13218693 | 58423 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 312 | 5 | 1 | 5 | 2.5 | Cc1c(NCCN2CCOCC2)nnc(-c2ccccc2)c1C | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL168551 | 58423 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 312 | 5 | 1 | 5 | 2.5 | Cc1c(NCCN2CCOCC2)nnc(-c2ccccc2)c1C | 10.1016/S0960-894X(00)80540-5 | ||
| 44456521 | 97437 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 282 | 7 | 1 | 6 | 1.6 | CNCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL272359 | 97437 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 282 | 7 | 1 | 6 | 1.6 | CNCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 13940563 | 204311 | 5 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 182 | 2 | 0 | 3 | -0.3 | CN(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL8510 | 204311 | 5 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 182 | 2 | 0 | 3 | -0.3 | CN(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| 44302879 | 201030 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61774 | 201030 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 15033740 | 57209 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 280 | 7 | 0 | 4 | 3.8 | CCCCCCOc1nscc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL166115 | 57209 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 280 | 7 | 0 | 4 | 3.8 | CCCCCCOc1nscc1C1=CCCN(C)C1 | 10.1016/S0960-894X(00)80536-3 | ||
| 44328808 | 11253 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 299 | 3 | 0 | 5 | 2.0 | Brc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179717 | 11253 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 299 | 3 | 0 | 5 | 2.0 | Brc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL95983 | 11253 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 299 | 3 | 0 | 5 | 2.0 | Brc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 10466019 | 10789 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 219 | 2 | 0 | 4 | 1.3 | COc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL117268 | 10789 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 219 | 2 | 0 | 4 | 1.3 | COc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 155511781 | 175778 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 449 | 6 | 0 | 5 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N\c2c(F)cccc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4436277 | 175778 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 449 | 6 | 0 | 5 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N\c2c(F)cccc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| CHEMBL4595659 | 175778 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 449 | 6 | 0 | 5 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(/N=N\c2c(F)cccc2F)c(F)c1 | 10.1021/acs.jmedchem.8b01822 | ||
| 290 | 2438 | 4 | None | 4 | 7 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| 4022 | 2438 | 4 | None | 4 | 7 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| 5926 | 2438 | 4 | None | 4 | 7 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL40554 | 2438 | 4 | None | 4 | 7 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL74300 | 2438 | 4 | None | 4 | 7 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| 15180164 | 14390 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL120399 | 14390 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL307837 | 14390 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 15180164 | 14390 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL120399 | 14390 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL307837 | 14390 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 7 | 0 | 4 | 3.8 | CCCCCCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 15750153 | 4505 | 3 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 189 | 1 | 0 | 3 | 1.3 | c1cnc(C2CN3CCC2CC3)cn1 | 10.1021/jm00018a007 | ||
| CHEMBL102560 | 4505 | 3 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 189 | 1 | 0 | 3 | 1.3 | c1cnc(C2CN3CCC2CC3)cn1 | 10.1021/jm00018a007 | ||
| 44612796 | 196220 | 0 | None | - | 1 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 2.1 | CN1CCC=C(C2SCC(=O)N2c2ccc(C(=O)O)cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| CHEMBL572822 | 196220 | 0 | None | - | 1 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 2.1 | CN1CCC=C(C2SCC(=O)N2c2ccc(C(=O)O)cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| 118719922 | 115275 | 0 | None | -1 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115275 | 0 | None | -1 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 10761219 | 11326 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180309 | 11326 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL121298 | 11326 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 4212 | 197002 | 75 | None | -1 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL1417019 | 197002 | 75 | None | -1 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL58 | 197002 | 75 | None | -1 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| 202718 | 86896 | 18 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 4 | 0 | 1 | 4.6 | C(CN1CCCCC1)=C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2012.12.054 | ||
| CHEMBL2332280 | 86896 | 18 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 4 | 0 | 1 | 4.6 | C(CN1CCCCC1)=C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2012.12.054 | ||
| 218047 | 43070 | 1 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 3.3 | Cc1cc(-c2ccc3ccccc3c2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL150687 | 43070 | 1 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 3.3 | Cc1cc(-c2ccc3ccccc3c2)nnc1NCCN1CCOCC1 | 10.1016/S0960-894X(00)80540-5 | ||
| 67547950 | 120364 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 456 | 6 | 0 | 3 | 4.9 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401655 | 120364 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 456 | 6 | 0 | 3 | 4.9 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559199 | 120364 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 456 | 6 | 0 | 3 | 4.9 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| 10755732 | 12015 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184092 | 12015 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL332181 | 12015 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 46886605 | 8818 | 0 | None | - | 1 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 286 | 2 | 0 | 3 | 1.8 | CN1CCC=C(C2CN(C(=O)c3ccccc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| CHEMBL1097622 | 8818 | 0 | None | - | 1 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 286 | 2 | 0 | 3 | 1.8 | CN1CCC=C(C2CN(C(=O)c3ccccc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| 5487543 | 203933 | 4 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL81878 | 203933 | 4 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00018a007 | ||
| 3158 | 55974 | 21 | None | -123 | 20 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55974 | 21 | None | -123 | 20 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 10854879 | 11312 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180239 | 11312 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL118241 | 11312 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 14211049 | 106505 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL315191 | 106505 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 15033741 | 4283 | 4 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL101054 | 4283 | 4 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL420007 | 4283 | 4 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 253 | 5 | 0 | 5 | 2.4 | CCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44456577 | 94720 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 268 | 6 | 1 | 6 | 1.4 | CN1CCC=C(c2nsnc2OCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL255793 | 94720 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 268 | 6 | 1 | 6 | 1.4 | CN1CCC=C(c2nsnc2OCCCCN)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 10262466 | 97892 | 0 | None | - | 5 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL275104 | 97892 | 0 | None | - | 5 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 10806268 | 12031 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184139 | 12031 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL334245 | 12031 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 44328734 | 12000 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.6 | Brc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183998 | 12000 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.6 | Brc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL327626 | 12000 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.6 | Brc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 44351044 | 19217 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.3 | CCSCc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL129410 | 19217 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 285 | 5 | 0 | 6 | 2.3 | CCSCc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 6075 | 149575 | 36 | None | -2 | 16 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 149575 | 36 | None | -2 | 16 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 44328830 | 11974 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 269 | 4 | 0 | 5 | 2.2 | Clc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183781 | 11974 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 269 | 4 | 0 | 5 | 2.2 | Clc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL317516 | 11974 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 269 | 4 | 0 | 5 | 2.2 | Clc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 44333603 | 109159 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 390 | 5 | 1 | 3 | 4.8 | Cc1cc(C(=O)c2ccccc2)ccc1NC(=O)CC1CCCN2CCCC[C@H]12 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL322378 | 109159 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 390 | 5 | 1 | 3 | 4.8 | Cc1cc(C(=O)c2ccccc2)ccc1NC(=O)CC1CCCN2CCCC[C@H]12 | 10.1016/s0960-894x(99)00528-4 | ||
| 136056102 | 119835 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 298 | 4 | 2 | 5 | 3.0 | CCN1CCCC1Nc1cc(C)c(-c2ccccc2O)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL352994 | 119835 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 298 | 4 | 2 | 5 | 3.0 | CCN1CCCC1Nc1cc(C)c(-c2ccccc2O)nn1 | 10.1016/S0960-894X(00)80540-5 | ||
| 18920296 | 11223 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CC(C)CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179457 | 11223 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CC(C)CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL76107 | 11223 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CC(C)CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 18920262 | 202464 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 267 | 5 | 0 | 5 | 2.8 | CCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL70670 | 202464 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 267 | 5 | 0 | 5 | 2.8 | CCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 18920287 | 202632 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 279 | 6 | 0 | 5 | 3.0 | C=CCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL71536 | 202632 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 279 | 6 | 0 | 5 | 3.0 | C=CCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 9946632 | 62020 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779043 | 62020 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 18920268 | 11959 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCC(C)CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1183636 | 11959 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCC(C)CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL308744 | 11959 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCC(C)CCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 10760249 | 11318 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180285 | 11318 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL120119 | 11318 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | ||
| 10760249 | 11318 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180285 | 11318 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL120119 | 11318 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| 54584800 | 62016 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 356 | 5 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)Cc1cccs1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779039 | 62016 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 356 | 5 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)Cc1cccs1 | 10.1016/j.bmcl.2011.03.096 | ||
| 15750155 | 4955 | 2 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 203 | 1 | 0 | 3 | 1.6 | Cc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL105136 | 4955 | 2 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 203 | 1 | 0 | 3 | 1.6 | Cc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 15180162 | 11215 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 223 | 3 | 0 | 4 | 2.2 | CCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179387 | 11215 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 223 | 3 | 0 | 4 | 2.2 | CCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73431 | 11215 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 223 | 3 | 0 | 4 | 2.2 | CCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 44380968 | 120284 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 296 | 5 | 1 | 4 | 3.3 | CCN1CCCC1CNc1nnc(-c2ccccc2)cc1C | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL355521 | 120284 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 296 | 5 | 1 | 4 | 3.3 | CCN1CCCC1CNc1nnc(-c2ccccc2)cc1C | 10.1016/S0960-894X(00)80540-5 | ||
| 24180125 | 95212 | 63 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 469 | 5 | 2 | 8 | 3.7 | O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 | 10.1021/jm8012954 | ||
| CHEMBL257991 | 95212 | 63 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 469 | 5 | 2 | 8 | 3.7 | O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 | 10.1021/jm8012954 | ||
| 1836 | 2554 | 56 | None | -50 | 15 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 3340 | 2554 | 56 | None | -50 | 15 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 5281040 | 2554 | 56 | None | -50 | 15 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| CHEMBL787 | 2554 | 56 | None | -50 | 15 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| DB00471 | 2554 | 56 | None | -50 | 15 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 44327400 | 206293 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 381 | 3 | 1 | 5 | 4.8 | CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3/CN4CCC3CC4)on2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| CHEMBL97468 | 206293 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 381 | 3 | 1 | 5 | 4.8 | CC(C)(C)OC(=O)Nc1ccc(-c2cc(/C=C3/CN4CCC3CC4)on2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| 15485015 | 106681 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 402 | 6 | 0 | 5 | 5.0 | COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CCC4CC5)on3)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| CHEMBL316329 | 106681 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 402 | 6 | 0 | 5 | 5.0 | COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CCC4CC5)on3)cc2)cc1 | 10.1016/s0960-894x(99)00477-1 | ||
| 44328695 | 11977 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 246 | 3 | 0 | 6 | 1.1 | N#Cc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183830 | 11977 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 246 | 3 | 0 | 6 | 1.1 | N#Cc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL320194 | 11977 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 246 | 3 | 0 | 6 | 1.1 | N#Cc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 3071774 | 21348 | 2 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 14 | 0 | 6 | 5.3 | CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL13166 | 21348 | 2 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 14 | 0 | 6 | 5.3 | CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 44328747 | 11259 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 232 | 3 | 0 | 6 | 0.8 | N#Cc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179738 | 11259 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 232 | 3 | 0 | 6 | 0.8 | N#Cc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL97581 | 11259 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 232 | 3 | 0 | 6 | 0.8 | N#Cc1cc(CO/N=C2\CN3CCC2C3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 4543 | 169982 | 36 | None | -2 | 29 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169982 | 36 | None | -2 | 29 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169982 | 36 | None | -2 | 29 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 44302755 | 200989 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61494 | 200989 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 2726 | 906 | 64 | None | -19 | 72 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 906 | 64 | None | -19 | 72 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 906 | 64 | None | -19 | 72 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 906 | 64 | None | -19 | 72 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 906 | 64 | None | -19 | 72 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 44310167 | 202131 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=CCCN(C)C1C | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL68482 | 202131 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 295 | 7 | 0 | 5 | 3.6 | CCCCCCOc1nsnc1C1=CCCN(C)C1C | 10.1016/S0960-894X(00)80072-4 | ||
| 14925759 | 157494 | 6 | None | -1479 | 13 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 157494 | 6 | None | -1479 | 13 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44351072 | 17839 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.0 | c1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL126383 | 17839 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 211 | 2 | 0 | 5 | 1.0 | c1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 15180162 | 11215 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 223 | 3 | 0 | 4 | 2.2 | CCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179387 | 11215 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 223 | 3 | 0 | 4 | 2.2 | CCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL73431 | 11215 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 223 | 3 | 0 | 4 | 2.2 | CCCc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 15033743 | 203066 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL74786 | 203066 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 15033743 | 203066 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL74786 | 203066 | 1 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 265 | 7 | 0 | 5 | 2.7 | CCCCCCOc1nonc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 9866745 | 121880 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 418 | 7 | 1 | 2 | 5.6 | O=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2015.05.077 | ||
| CHEMBL3600801 | 121880 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 418 | 7 | 1 | 2 | 5.6 | O=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2015.05.077 | ||
| 10638050 | 11310 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL116601 | 11310 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180202 | 11310 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10242053 | 22042 | 2 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 205 | 2 | 0 | 4 | 1.2 | COc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL132331 | 22042 | 2 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 205 | 2 | 0 | 4 | 1.2 | COc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 44328810 | 11251 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 313 | 4 | 0 | 5 | 2.3 | Brc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1179715 | 11251 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 313 | 4 | 0 | 5 | 2.3 | Brc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL95907 | 11251 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 313 | 4 | 0 | 5 | 2.3 | Brc1cc(CO/N=C/C2CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 10242053 | 22042 | 2 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 205 | 2 | 0 | 4 | 1.2 | COc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| CHEMBL132331 | 22042 | 2 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 205 | 2 | 0 | 4 | 1.2 | COc1nccnc1C1=CCCN(C)C1 | 10.1021/jm00100a005 | ||
| 18920330 | 111004 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL327754 | 111004 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL75552 | 111004 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 267 | 6 | 0 | 5 | 2.8 | CCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 15180166 | 203224 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 7 | 0 | 5 | 2.9 | CCCCCC[S+]([O-])c1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL76296 | 203224 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 7 | 0 | 5 | 2.9 | CCCCCC[S+]([O-])c1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 25014630 | 83126 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
| CHEMBL2203713 | 83126 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
| 21947646 | 154983 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 2.6 | CC#CCn1c(N2CCCC(N)C2)nc2cnn(Cc3ccc(C#N)c4ccccc34)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| CHEMBL404220 | 154983 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 2.6 | CC#CCn1c(N2CCCC(N)C2)nc2cnn(Cc3ccc(C#N)c4ccccc34)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| 122184561 | 121895 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 473 | 8 | 2 | 3 | 4.6 | CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| CHEMBL3600815 | 121895 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 473 | 8 | 2 | 3 | 4.6 | CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| 44456863 | 97453 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL272468 | 97453 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44456863 | 97453 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL272468 | 97453 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 319 | 7 | 0 | 7 | 2.3 | CN1CCC=C(c2nsnc2OCCCCn2ccnc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 44328695 | 11977 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 246 | 3 | 0 | 6 | 1.1 | N#Cc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL1183830 | 11977 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 246 | 3 | 0 | 6 | 1.1 | N#Cc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| CHEMBL320194 | 11977 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 246 | 3 | 0 | 6 | 1.1 | N#Cc1cc(CO/N=C2\CN3CCC2CC3)on1 | 10.1016/s0960-894x(01)00559-5 | ||
| 60130337 | 121894 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 4.6 | CC(=O)N1CCN(Cc2ccc(CCNC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| CHEMBL3600814 | 121894 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 4.6 | CC(=O)N1CCN(Cc2ccc(CCNC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2)CC1 | 10.1016/j.bmcl.2015.05.077 | ||
| 19718 | 203116 | 7 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 168 | 2 | 0 | 2 | 0.0 | CC(=O)N(C)CC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL75358 | 203116 | 7 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 168 | 2 | 0 | 2 | 0.0 | CC(=O)N(C)CC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| 9990434 | 105858 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL313918 | 105858 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10611310 | 12017 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184096 | 12017 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL332335 | 12017 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 10782321 | 12018 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| CHEMBL1184098 | 12018 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| CHEMBL332405 | 12018 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| 59691557 | 121927 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 432 | 7 | 1 | 2 | 6.6 | O=C(CCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600974 | 121927 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 432 | 7 | 1 | 2 | 6.6 | O=C(CCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 24739554 | 187480 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 531 | 5 | 1 | 2 | 6.9 | O=C(Nc1ccccc1)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| CHEMBL497799 | 187480 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 531 | 5 | 1 | 2 | 6.9 | O=C(Nc1ccccc1)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| 10332225 | 110062 | 1 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 247 | 4 | 0 | 4 | 2.1 | CCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| CHEMBL325225 | 110062 | 1 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 247 | 4 | 0 | 4 | 2.1 | CCCOc1nccnc1C1CN2CCC1CC2 | 10.1021/jm00018a007 | ||
| 10403330 | 17147 | 3 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL125732 | 17147 | 3 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 313 | 7 | 0 | 6 | 3.3 | CCCCCSc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 19710110 | 11212 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCCC(C)COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179368 | 11212 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCCC(C)COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL72430 | 11212 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CCCC(C)COc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 18920230 | 161312 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL414874 | 161312 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.2 | CCCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 18920262 | 202464 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 267 | 5 | 0 | 5 | 2.8 | CCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| CHEMBL70670 | 202464 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 267 | 5 | 0 | 5 | 2.8 | CCCCOc1nsnc1C1=CCC(C)N(C)C1 | 10.1016/S0960-894X(00)80072-4 | ||
| 54586743 | 62811 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 357 | 4 | 0 | 3 | 4.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779130 | 62811 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 357 | 4 | 0 | 3 | 4.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789462 | 62811 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 357 | 4 | 0 | 3 | 4.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2011.03.096 | ||
| 135398737 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm991005d | ||
| 38 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm991005d | ||
| 722 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm991005d | ||
| CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm991005d | ||
| DB00363 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm991005d | ||
| 135398737 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9704457 | ||
| 38 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9704457 | ||
| 722 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9704457 | ||
| CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9704457 | ||
| DB00363 | 944 | 89 | None | -2 | 91 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9704457 | ||
| 9974222 | 11816 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1182709 | 11816 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL262198 | 11816 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00100a005 | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm00090a019 | ||
| 18920296 | 11223 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CC(C)CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL1179457 | 11223 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CC(C)CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| CHEMBL76107 | 11223 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 281 | 6 | 0 | 5 | 3.1 | CC(C)CCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm00090a019 | ||
| 67549179 | 117277 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 334 | 2 | 2 | 3 | 2.1 | O=C(N[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401645 | 117277 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 334 | 2 | 2 | 3 | 2.1 | O=C(N[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| 44268378 | 21751 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 497 | 17 | 2 | 10 | 3.4 | CN(C)Cc1ccc(CSCCN/C=C(/NCCSCc2ccc(CN(C)C)o2)[N+](=O)[O-])o1 | 10.1021/jm00084a015 | ||
| CHEMBL13206 | 21751 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 497 | 17 | 2 | 10 | 3.4 | CN(C)Cc1ccc(CSCCN/C=C(/NCCSCc2ccc(CN(C)C)o2)[N+](=O)[O-])o1 | 10.1021/jm00084a015 | ||
| 302 | 2929 | 23 | None | 3 | 7 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| 4630 | 2929 | 23 | None | 3 | 7 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| CHEMBL7634 | 2929 | 23 | None | 3 | 7 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| 44576434 | 186977 | 0 | None | - | 1 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 1.3 | CN1CCC=C(C2CN(S(=O)(=O)c3ccccc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL494568 | 186977 | 0 | None | - | 1 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 1.3 | CN1CCC=C(C2CN(S(=O)(=O)c3ccccc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 44302727 | 101448 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL300987 | 101448 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 9816807 | 117585 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 267 | 6 | 0 | 6 | 1.7 | CCCCOc1nonc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL340624 | 117585 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 267 | 6 | 0 | 6 | 1.7 | CCCCOc1nonc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 2801 | 161325 | 56 | None | -1 | 28 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161325 | 56 | None | -1 | 28 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161325 | 56 | None | -1 | 28 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 44330323 | 206669 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 329 | 7 | 0 | 5 | 3.7 | CN1CCC=C(c2nsnc2OCCCCc2ccccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL99768 | 206669 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 329 | 7 | 0 | 5 | 3.7 | CN1CCC=C(c2nsnc2OCCCCc2ccccc2)C1 | 10.1016/j.bmc.2007.10.058 | ||
| 10852843 | 11819 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1182713 | 11819 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL262303 | 11819 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 15685982 | 56232 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 194 | 3 | 1 | 3 | 1.6 | CC(/C=N/O)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL163661 | 56232 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 194 | 3 | 1 | 3 | 1.6 | CC(/C=N/O)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 25014974 | 186760 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 356 | 3 | 0 | 4 | 2.0 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL493210 | 186760 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 356 | 3 | 0 | 4 | 2.0 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 44449149 | 94792 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 456 | 4 | 1 | 9 | 2.2 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c(C)nn(Cc3nc(C)c4ccccc4n3)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| CHEMBL256121 | 94792 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 456 | 4 | 1 | 9 | 2.2 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c(C)nn(Cc3nc(C)c4ccccc4n3)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| 10569816 | 11354 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180367 | 11354 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL124173 | 11354 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| 11316670 | 95213 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 442 | 4 | 1 | 9 | 1.7 | CC#CCn1c(N2CCCNCC2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| CHEMBL257999 | 95213 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 442 | 4 | 1 | 9 | 1.7 | CC#CCn1c(N2CCCNCC2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 | 10.1016/j.bmcl.2008.04.075 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.10.058 | ||
| 290 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00018a007 | ||
| 290 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80536-3 | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80536-3 | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80536-3 | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80536-3 | ||
| 290 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00090a019 | ||
| 2166 | 3074 | 46 | None | -218 | 8 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 305 | 3074 | 46 | None | -218 | 8 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 5910 | 3074 | 46 | None | -218 | 8 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL550 | 3074 | 46 | None | -218 | 8 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| DB01085 | 3074 | 46 | None | -218 | 8 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 14479864 | 4583 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 440 | 4 | 1 | 3 | 4.0 | O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 | 10.1016/j.bmcl.2008.07.115 | ||
| CHEMBL10309 | 4583 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 440 | 4 | 1 | 3 | 4.0 | O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 | 10.1016/j.bmcl.2008.07.115 | ||
| 16742746 | 121933 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 5.2 | COc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| CHEMBL3600980 | 121933 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 5.2 | COc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 | 10.1016/j.bmcl.2015.05.074 | ||
| 10594386 | 11313 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180249 | 11313 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL118553 | 11313 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 6410685 | 108769 | 2 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 337 | 9 | 1 | 8 | 2.4 | CN(C)Cc1ccc(CSCCNc2nnccc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL321808 | 108769 | 2 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 337 | 9 | 1 | 8 | 2.4 | CN(C)Cc1ccc(CSCCNc2nnccc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 44351075 | 18956 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 245 | 2 | 0 | 5 | 1.7 | Clc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| CHEMBL128950 | 18956 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 245 | 2 | 0 | 5 | 1.7 | Clc1nsnc1OC1CN2CCC1CC2 | 10.1021/jm970125n | ||
| 10563152 | 204350 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL85460 | 204350 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 10797864 | 25940 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 1.0 | CO/N=C(\C#N)C12CCCN(CC1)C2 | 10.1021/jm9702903 | ||
| CHEMBL135645 | 25940 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 1.0 | CO/N=C(\C#N)C12CCCN(CC1)C2 | 10.1021/jm9702903 | ||
| 15021363 | 111614 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 207 | 3 | 1 | 3 | 0.7 | CC[C@H]1C(=O)NC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL329000 | 111614 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 207 | 3 | 1 | 3 | 0.7 | CC[C@H]1C(=O)NC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 10101246 | 9455 | 0 | None | 81 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL112297 | 9455 | 0 | None | 81 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 10457079 | 9935 | 0 | None | 4 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL115078 | 9935 | 0 | None | 4 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 10387775 | 78083 | 0 | None | 3 | 2 | Rat | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL2111842 | 78083 | 0 | None | 3 | 2 | Rat | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 164612037 | 184795 | 0 | None | -3 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL4860528 | 184795 | 0 | None | -3 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| 168290235 | 192366 | 0 | None | -11 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192366 | 0 | None | -11 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192366 | 0 | None | -11 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 192417 | 0 | None | -3 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192417 | 0 | None | -3 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192417 | 0 | None | -3 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295528 | 192429 | 0 | None | -3 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 192429 | 0 | None | -3 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 192429 | 0 | None | -3 | 20 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 10387775 | 78083 | 0 | None | 3 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL2111842 | 78083 | 0 | None | 3 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00020a004 | ||
| 10365181 | 18370 | 0 | None | -1 | 3 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL127587 | 18370 | 0 | None | -1 | 3 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 11968014 | 12649 | 4 | None | 1 | 9 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm00170a010 | ||
| CHEMBL1187846 | 12649 | 4 | None | 1 | 9 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm00170a010 | ||
| 155535606 | 171486 | 0 | None | -4 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4471882 | 171486 | 0 | None | -4 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| 4120 | 5857 | 6 | None | -2 | 3 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL107979 | 5857 | 6 | None | -2 | 3 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL293927 | 5857 | 6 | None | -2 | 3 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 14753629 | 13557 | 0 | None | 1 | 3 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 302 | 5 | 2 | 4 | 1.9 | N=CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL1194660 | 13557 | 0 | None | 1 | 3 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 302 | 5 | 2 | 4 | 1.9 | N=CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL553066 | 13557 | 0 | None | 1 | 3 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 302 | 5 | 2 | 4 | 1.9 | N=CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| 174174 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| 260 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| 320 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| CHEMBL517712 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| DB00572 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| 44457832 | 85196 | 0 | None | 2 | 2 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCC[C@@H]1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22829 | 85196 | 0 | None | 2 | 2 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCC[C@@H]1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 44457835 | 82973 | 0 | None | 11 | 2 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCCC1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL21942 | 82973 | 0 | None | 11 | 2 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCCC1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 156015978 | 177748 | 0 | None | -2 | 5 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | -2 | 5 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | -2 | 5 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44457850 | 98501 | 0 | None | 1 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCC[C@@H]1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL279712 | 98501 | 0 | None | 1 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCC[C@@H]1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 73345317 | 88866 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 962 | 23 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCC(=O)NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| CHEMBL2368391 | 88866 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 962 | 23 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCC(=O)NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| 73351430 | 88868 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 764 | 13 | 2 | 8 | 6.2 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| CHEMBL2368393 | 88868 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 764 | 13 | 2 | 8 | 6.2 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| 44396257 | 126647 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 865 | 19 | 3 | 9 | 6.0 | C[N+]1=C(CCC(=O)NCCCCCC(=O)NCCCCN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)C=C/C1=C/c1ccc(-c2cccs2)n1[BH-](F)F | 10.1021/jm040800a | ||
| CHEMBL365702 | 126647 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 865 | 19 | 3 | 9 | 6.0 | C[N+]1=C(CCC(=O)NCCCCCC(=O)NCCCCN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)C=C/C1=C/c1ccc(-c2cccs2)n1[BH-](F)F | 10.1021/jm040800a | ||
| 118732891 | 120356 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 593 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414839 | 120356 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 593 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559122 | 120356 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 593 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/0960-894X(94)00459-S | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/0960-894X(94)00459-S | ||
| 118732901 | 120352 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414844 | 120352 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559052 | 120352 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O | 10.1021/jm500860w | ||
| 118732889 | 120354 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 533 | 10 | 1 | 6 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414838 | 120354 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 533 | 10 | 1 | 6 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559073 | 120354 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 533 | 10 | 1 | 6 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| 118732903 | 118002 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 673 | 14 | 2 | 7 | 7.2 | CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O | 10.1021/jm500860w | ||
| CHEMBL3414847 | 118002 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 673 | 14 | 2 | 7 | 7.2 | CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O | 10.1021/jm500860w | ||
| 44373093 | 53818 | 0 | None | 2 | 2 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 4.9 | C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]21 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL160666 | 53818 | 0 | None | 2 | 2 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 4.9 | C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]21 | 10.1016/0960-894X(94)00459-S | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80325-X | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80325-X | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 44396260 | 155192 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1135 | 26 | 2 | 15 | 6.0 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm040800a | ||
| CHEMBL405526 | 155192 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1135 | 26 | 2 | 15 | 6.0 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm040800a | ||
| 14753634 | 13615 | 0 | None | 1 | 3 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 316 | 4 | 2 | 4 | 2.3 | CC(=N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL1195059 | 13615 | 0 | None | 1 | 3 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 316 | 4 | 2 | 4 | 2.3 | CC(=N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL553783 | 13615 | 0 | None | 1 | 3 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 316 | 4 | 2 | 4 | 2.3 | CC(=N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| 5861 | 11180 | 10 | None | 1 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL1179176 | 11180 | 10 | None | 1 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL63452 | 11180 | 10 | None | 1 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| 44457825 | 162642 | 0 | None | 1 | 2 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCCC1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL418189 | 162642 | 0 | None | 1 | 2 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCCC1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| 73354391 | 88865 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 796 | 15 | 2 | 10 | 4.7 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| CHEMBL2368390 | 88865 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 796 | 15 | 2 | 10 | 4.7 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| 10104167 | 2028 | 1 | None | -95 | 4 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500860w | ||
| 6937 | 2028 | 1 | None | -95 | 4 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500860w | ||
| CHEMBL3121473 | 2028 | 1 | None | -95 | 4 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500860w | ||
| 44457828 | 161332 | 0 | None | 1 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCC[C@H]1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL415037 | 161332 | 0 | None | 1 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCC[C@H]1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 44373067 | 51628 | 0 | None | -5 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 431 | 3 | 0 | 4 | 5.8 | C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL158589 | 51628 | 0 | None | -5 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 431 | 3 | 0 | 4 | 5.8 | C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/0960-894X(94)00459-S | ||
| 156016041 | 177672 | 0 | None | -2 | 5 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | -2 | 5 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | -2 | 5 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 2166 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 305 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 5910 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| CHEMBL550 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| DB01085 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 2166 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 305 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 5910 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| CHEMBL550 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| DB01085 | 3074 | 46 | None | -1230 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 44457833 | 94349 | 0 | None | 7 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.3 | CN1CCCCC1/C=C/C1c2ccccc2OC2C=CC=CC21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL25334 | 94349 | 0 | None | 7 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.3 | CN1CCCCC1/C=C/C1c2ccccc2OC2C=CC=CC21 | 10.1016/S0960-894X(00)80325-X | ||
| 14753637 | 13378 | 0 | None | 1 | 3 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 330 | 4 | 2 | 5 | 1.3 | CC(=N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL1193366 | 13378 | 0 | None | 1 | 3 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 330 | 4 | 2 | 5 | 1.3 | CC(=N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL544759 | 13378 | 0 | None | 1 | 3 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 330 | 4 | 2 | 5 | 1.3 | CC(=N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 14753632 | 13397 | 0 | None | 1 | 3 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 316 | 5 | 2 | 5 | 0.9 | N=CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL1193564 | 13397 | 0 | None | 1 | 3 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 316 | 5 | 2 | 5 | 0.9 | N=CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL544993 | 13397 | 0 | None | 1 | 3 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 316 | 5 | 2 | 5 | 0.9 | N=CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 3636 | 11043 | 5 | None | -1 | 3 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL1178342 | 11043 | 5 | None | -1 | 3 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL21823 | 11043 | 5 | None | -1 | 3 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 44396263 | 10198 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1082 | 22 | 4 | 14 | 6.6 | CCN1/C(=C/C=C/C2N(CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc54)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm040800a | ||
| CHEMBL1161713 | 10198 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1082 | 22 | 4 | 14 | 6.6 | CCN1/C(=C/C=C/C2N(CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc54)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm040800a | ||
| 73349926 | 88867 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 972 | 27 | 2 | 14 | 4.8 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCOCCOCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| CHEMBL2368392 | 88867 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 972 | 27 | 2 | 14 | 4.8 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCOCCOCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| 44457838 | 161333 | 0 | None | -2 | 2 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCC[C@H]1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL415038 | 161333 | 0 | None | -2 | 2 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCC[C@H]1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 44457834 | 84293 | 0 | None | 1 | 2 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 317 | 3 | 0 | 1 | 5.3 | CN1CCCCC1CCC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22278 | 84293 | 0 | None | 1 | 2 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 317 | 3 | 0 | 1 | 5.3 | CN1CCCCC1CCC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 44373049 | 52286 | 0 | None | -4 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 4.2 | C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL159237 | 52286 | 0 | None | -4 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 4.2 | C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/0960-894X(94)00459-S | ||
| 118732895 | 120357 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414841 | 120357 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559128 | 120357 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 561 | 12 | 1 | 6 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O | 10.1021/jm500860w | ||
| 44373347 | 119060 | 0 | None | -1 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 349 | 4 | 2 | 3 | 3.8 | C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL346049 | 119060 | 0 | None | -1 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 349 | 4 | 2 | 3 | 3.8 | C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C | 10.1016/0960-894X(94)00459-S | ||
| 44457839 | 83580 | 0 | None | 4 | 2 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 317 | 3 | 0 | 1 | 5.2 | CN1CCCCC1C/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22071 | 83580 | 0 | None | 4 | 2 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 317 | 3 | 0 | 1 | 5.2 | CN1CCCCC1C/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 1476756 | 200304 | 62 | None | - | 1 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500860w | ||
| CHEMBL608112 | 200304 | 62 | None | - | 1 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 309 | 4 | 1 | 4 | 2.8 | COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 | 10.1021/jm500860w | ||
| 14460961 | 119783 | 1 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 309 | 2 | 0 | 3 | 3.4 | CN1CCC2(CC1)COC(c1ccccc1)(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| CHEMBL352638 | 119783 | 1 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 309 | 2 | 0 | 3 | 3.4 | CN1CCC2(CC1)COC(c1ccccc1)(c1ccccc1)O2 | 10.1016/S0960-894X(00)80537-5 | ||
| 156015807 | 177724 | 0 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 10365181 | 18370 | 0 | None | -1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL127587 | 18370 | 0 | None | -1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 44373048 | 52250 | 0 | None | -2 | 2 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 433 | 6 | 0 | 5 | 5.0 | CC(=O)OC[C@H]1C[C@H]2CCCC[C@@H]2[C@@H](/C=C/[C@H]2CCC[C@H](C)N2C)[C@H]1[C@H](C)OC(C)=O | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL159189 | 52250 | 0 | None | -2 | 2 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 433 | 6 | 0 | 5 | 5.0 | CC(=O)OC[C@H]1C[C@H]2CCCC[C@@H]2[C@@H](/C=C/[C@H]2CCC[C@H](C)N2C)[C@H]1[C@H](C)OC(C)=O | 10.1016/0960-894X(94)00459-S | ||
| 44457844 | 85388 | 0 | None | -1 | 2 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 301 | 2 | 0 | 1 | 5.5 | CN1CCCCC1/C=C/c1c2ccccc2cc2ccccc12 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22962 | 85388 | 0 | None | -1 | 2 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 301 | 2 | 0 | 1 | 5.5 | CN1CCCCC1/C=C/c1c2ccccc2cc2ccccc12 | 10.1016/S0960-894X(00)80325-X | ||
| 14753624 | 13624 | 0 | None | -2 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 317 | 4 | 3 | 4 | 1.2 | N=C(N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL1195123 | 13624 | 0 | None | -2 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 317 | 4 | 3 | 4 | 1.2 | N=C(N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL553894 | 13624 | 0 | None | -2 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 317 | 4 | 3 | 4 | 1.2 | N=C(N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| 14753627 | 13594 | 0 | None | -1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 331 | 4 | 3 | 5 | 0.2 | N=C(N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL1194941 | 13594 | 0 | None | -1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 331 | 4 | 3 | 5 | 0.2 | N=C(N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL553562 | 13594 | 0 | None | -1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 331 | 4 | 3 | 5 | 0.2 | N=C(N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 118732893 | 120353 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 567 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414840 | 120353 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 567 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559070 | 120353 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 567 | 10 | 1 | 6 | 4.2 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| 118732897 | 120358 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 621 | 12 | 1 | 6 | 4.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414842 | 120358 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 621 | 12 | 1 | 6 | 4.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559129 | 120358 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 621 | 12 | 1 | 6 | 4.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O | 10.1021/jm500860w | ||
| 71455951 | 83443 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm201348t | ||
| CHEMBL2206333 | 83443 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm201348t | ||
| 71455951 | 83443 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL2206333 | 83443 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/acs.jmedchem.9b02172 | ||
| 118732899 | 120359 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 595 | 12 | 1 | 6 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3414843 | 120359 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 595 | 12 | 1 | 6 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| CHEMBL3559130 | 120359 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 595 | 12 | 1 | 6 | 5.0 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O | 10.1021/jm500860w | ||
| 10318189 | 53946 | 0 | None | -9 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 389 | 3 | 0 | 4 | 4.8 | CC(=O)O[C@H]1O[C@@H](C)[C@@H]2[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]3CCCC[C@@H]3C[C@H]12 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL160755 | 53946 | 0 | None | -9 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 389 | 3 | 0 | 4 | 4.8 | CC(=O)O[C@H]1O[C@@H](C)[C@@H]2[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]3CCCC[C@@H]3C[C@H]12 | 10.1016/0960-894X(94)00459-S | ||
| 15038486 | 85341 | 0 | None | -8 | 3 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22923 | 85341 | 0 | None | -8 | 3 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80325-X | ||
| 15038486 | 85341 | 0 | None | -8 | 3 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80534-X | ||
| CHEMBL22923 | 85341 | 0 | None | -8 | 3 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80534-X | ||
| 11798681 | 11045 | 0 | None | 20 | 2 | Rat | 11.0 | pKi | = | 11 | Binding | ChEMBL | 346 | 4 | 1 | 3 | 3.2 | C[N+]1(C)CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 | 10.1021/jm960374w | ||
| CHEMBL1178344 | 11045 | 0 | None | 20 | 2 | Rat | 11.0 | pKi | = | 11 | Binding | ChEMBL | 346 | 4 | 1 | 3 | 3.2 | C[N+]1(C)CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 | 10.1021/jm960374w | ||
| CHEMBL21905 | 11045 | 0 | None | 20 | 2 | Rat | 11.0 | pKi | = | 11 | Binding | ChEMBL | 346 | 4 | 1 | 3 | 3.2 | C[N+]1(C)CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 | 10.1021/jm960374w | ||
| 10101246 | 9455 | 0 | None | 81 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL112297 | 9455 | 0 | None | 81 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 44274333 | 11042 | 0 | None | 5 | 2 | Rat | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 358 | 4 | 1 | 3 | 3.2 | C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2 | 10.1021/jm960374w | ||
| CHEMBL1178341 | 11042 | 0 | None | 5 | 2 | Rat | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 358 | 4 | 1 | 3 | 3.2 | C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2 | 10.1021/jm960374w | ||
| CHEMBL21812 | 11042 | 0 | None | 5 | 2 | Rat | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 358 | 4 | 1 | 3 | 3.2 | C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2 | 10.1021/jm960374w | ||
| 59291417 | 112325 | 0 | None | 1 | 3 | Rat | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 343 | 3 | 1 | 3 | 4.3 | C[N+]12CCC(OC(=O)Nc3ccsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298595 | 112325 | 0 | None | 1 | 3 | Rat | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 343 | 3 | 1 | 3 | 4.3 | C[N+]12CCC(OC(=O)Nc3ccsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307168 | 112325 | 0 | None | 1 | 3 | Rat | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 343 | 3 | 1 | 3 | 4.3 | C[N+]12CCC(OC(=O)Nc3ccsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 156010309 | 176589 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1053 | 16 | 2 | 11 | 9.2 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)Cc3ccc4c(c3)C(C)(C)C3=C5C=C6C7=[N+](CCC6OC5CCN34)c3ccc(S(=O)(=O)[O-])cc3C7(C)C)CC1)c1ccccc1NC2=O | 10.1039/d0md00137f | ||
| CHEMBL4634333 | 176589 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1053 | 16 | 2 | 11 | 9.2 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)Cc3ccc4c(c3)C(C)(C)C3=C5C=C6C7=[N+](CCC6OC5CCN34)c3ccc(S(=O)(=O)[O-])cc3C7(C)C)CC1)c1ccccc1NC2=O | 10.1039/d0md00137f | ||
| 15599352 | 108136 | 0 | None | 2 | 2 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC1C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL320611 | 108136 | 0 | None | 2 | 2 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC1C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 156010309 | 176589 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1053 | 16 | 2 | 11 | 9.2 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)Cc3ccc4c(c3)C(C)(C)C3=C5C=C6C7=[N+](CCC6OC5CCN34)c3ccc(S(=O)(=O)[O-])cc3C7(C)C)CC1)c1ccccc1NC2=O | 10.1039/d0md00137f | ||
| CHEMBL4634333 | 176589 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 1053 | 16 | 2 | 11 | 9.2 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)Cc3ccc4c(c3)C(C)(C)C3=C5C=C6C7=[N+](CCC6OC5CCN34)c3ccc(S(=O)(=O)[O-])cc3C7(C)C)CC1)c1ccccc1NC2=O | 10.1039/d0md00137f | ||
| 25005841 | 112322 | 0 | None | 1 | 3 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.4 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298599 | 112322 | 0 | None | 1 | 3 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.4 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307130 | 112322 | 0 | None | 1 | 3 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.4 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 25195533 | 77983 | 1 | None | 1 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm900736e | ||
| CHEMBL2103803 | 77983 | 1 | None | 1 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm900736e | ||
| CHEMBL2110584 | 77983 | 1 | None | 1 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm900736e | ||
| 25195533 | 77983 | 1 | None | 1 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2103803 | 77983 | 1 | None | 1 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2110584 | 77983 | 1 | None | 1 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 23056 | 112 | 26 | None | 1 | 7 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 318 | 112 | 26 | None | 1 | 7 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 3260 | 112 | 26 | None | 1 | 7 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL12980 | 112 | 26 | None | 1 | 7 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 59291241 | 112317 | 0 | None | 1 | 3 | Rat | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.7 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298596 | 112317 | 0 | None | 1 | 3 | Rat | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.7 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307116 | 112317 | 0 | None | 1 | 3 | Rat | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.7 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 59291493 | 112324 | 0 | None | 1 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 3.9 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccc(F)cc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298600 | 112324 | 0 | None | 1 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 3.9 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccc(F)cc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307158 | 112324 | 0 | None | 1 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 3.9 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccc(F)cc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 11434515 | 259 | 3 | None | -8 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 11519741 | 259 | 3 | None | -8 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 4484 | 259 | 3 | None | -8 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 7449 | 259 | 3 | None | -8 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| CHEMBL1194325 | 259 | 3 | None | -8 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| DB08897 | 259 | 3 | None | -8 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 11852298 | 13912 | 0 | None | 1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1197251 | 13912 | 0 | None | 1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL564057 | 13912 | 0 | None | 1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 129486 | 99692 | 6 | None | 5 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2 | 10.1021/jm00108a030 | ||
| CHEMBL287868 | 99692 | 6 | None | 5 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2 | 10.1021/jm00108a030 | ||
| 15599352 | 108136 | 0 | None | 2 | 2 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC1C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL320611 | 108136 | 0 | None | 2 | 2 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC1C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 10143956 | 13798 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL1196359 | 13798 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL556635 | 13798 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 59291402 | 112289 | 0 | None | -1 | 3 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298588 | 112289 | 0 | None | -1 | 3 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305766 | 112289 | 0 | None | -1 | 3 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| 44232952 | 102908 | 0 | None | 3 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084650 | 102908 | 0 | None | 3 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 9809330 | 115499 | 0 | None | -8 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| CHEMBL335542 | 115499 | 0 | None | -8 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| 9809330 | 115499 | 0 | None | -8 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| CHEMBL335542 | 115499 | 0 | None | -8 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| 156014812 | 177687 | 0 | None | -1 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 389 | 3 | 1 | 2 | 4.9 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4647437 | 177687 | 0 | None | -1 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 389 | 3 | 1 | 2 | 4.9 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4650736 | 177687 | 0 | None | -1 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 389 | 3 | 1 | 2 | 4.9 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| 16065403 | 67593 | 16 | None | 1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | ||
| CHEMBL1910856 | 67593 | 16 | None | 1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | ||
| 16116085 | 11741 | 0 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182201 | 11741 | 0 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL219786 | 11741 | 0 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 9809330 | 115499 | 0 | None | -8 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL335542 | 115499 | 0 | None | -8 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 11431874 | 73932 | 0 | None | -1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 413 | 9 | 0 | 1 | 6.6 | C=CCCCC[N+]1(C)C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2012.02.015 | ||
| CHEMBL2023762 | 73932 | 0 | None | -1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 413 | 9 | 0 | 1 | 6.6 | C=CCCCC[N+]1(C)C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2012.02.015 | ||
| CHEMBL2023764 | 73932 | 0 | None | -1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 413 | 9 | 0 | 1 | 6.6 | C=CCCCC[N+]1(C)C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2012.02.015 | ||
| 25006208 | 112327 | 0 | None | 1 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 5.0 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cc(Cl)cc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298763 | 112327 | 0 | None | 1 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 5.0 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cc(Cl)cc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307197 | 112327 | 0 | None | 1 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 5.0 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cc(Cl)cc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 156009673 | 177679 | 0 | None | -1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 407 | 3 | 1 | 2 | 5.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4633816 | 177679 | 0 | None | -1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 407 | 3 | 1 | 2 | 5.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4650683 | 177679 | 0 | None | -1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 407 | 3 | 1 | 2 | 5.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| 6604314 | 30763 | 3 | None | 3 | 2 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm960374w | ||
| CHEMBL1398637 | 30763 | 3 | None | 3 | 2 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm960374w | ||
| 1201549 | 590 | 22 | None | 1 | 20 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | 1 | 20 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | 1 | 20 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | 1 | 20 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | 1 | 20 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | 1 | 20 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 152278786 | 182170 | 0 | None | -1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4790083 | 182170 | 0 | None | -1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00059a009 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00059a009 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00143-1 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00114a005 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00114a005 | ||
| 44610056 | 123473 | 0 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 5.5 | O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| CHEMBL3629360 | 123473 | 0 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 5.5 | O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| 367 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| 5487427 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| 8592 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1900528 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305968 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL4650755 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| DB01409 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| 11519069 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 11519070 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 4816 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 7354 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| CHEMBL1187833 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| DB09076 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm201348t | ||
| 11135606 | 32607 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 504 | 13 | 0 | 10 | 4.6 | CN1CCC=C(c2nsnc2OCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL141452 | 32607 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 504 | 13 | 0 | 10 | 4.6 | CN1CCC=C(c2nsnc2OCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 59291413 | 112290 | 0 | None | 1 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298589 | 112290 | 0 | None | 1 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305767 | 112290 | 0 | None | 1 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 15599355 | 107060 | 0 | None | 5 | 2 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 351 | 4 | 1 | 4 | 2.9 | CN1CC2CC1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL318812 | 107060 | 0 | None | 5 | 2 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 351 | 4 | 1 | 4 | 2.9 | CN1CC2CC1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 9958728 | 34927 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 532 | 15 | 0 | 10 | 5.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143468 | 34927 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 532 | 15 | 0 | 10 | 5.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 162677523 | 183092 | 0 | None | 1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4756833 | 183092 | 0 | None | 1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4802932 | 183092 | 0 | None | 1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| 16115945 | 12191 | 0 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184886 | 12191 | 0 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376057 | 12191 | 0 | None | -1 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 174174 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| 260 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| 320 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| CHEMBL517712 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| DB00572 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| 174174 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| 260 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| 320 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| CHEMBL517712 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| DB00572 | 519 | 46 | None | -2 | 14 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| 154417 | 92828 | 57 | None | -2 | 10 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL2449003 | 92828 | 57 | None | -2 | 10 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | ||
| 156011965 | 176718 | 0 | None | -3 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 4.8 | O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4636528 | 176718 | 0 | None | -3 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 4.8 | O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 154417 | 92828 | 57 | None | -2 | 10 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL2449003 | 92828 | 57 | None | -2 | 10 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | ||
| 25897919 | 55363 | 11 | None | -2 | 8 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| 657309 | 55363 | 11 | None | -2 | 8 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1464005 | 55363 | 11 | None | -2 | 8 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1621597 | 55363 | 11 | None | -2 | 8 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| 16116083 | 12190 | 0 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184884 | 12190 | 0 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL375969 | 12190 | 0 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/np50094a001 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/np50094a001 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/np50094a001 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/np50094a001 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/np50094a001 | ||
| 46188794 | 177744 | 0 | None | 2 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4645580 | 177744 | 0 | None | 2 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651099 | 177744 | 0 | None | 2 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 59291513 | 112320 | 0 | None | -1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.3 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1cccc(Cl)c1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298598 | 112320 | 0 | None | -1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.3 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1cccc(Cl)c1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307127 | 112320 | 0 | None | -1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.3 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1cccc(Cl)c1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| 372625 | 100678 | 10 | None | -3 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1039/d0md00137f | ||
| CHEMBL295388 | 100678 | 10 | None | -3 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1039/d0md00137f | ||
| 25034182 | 172015 | 0 | None | 2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL448870 | 172015 | 0 | None | 2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL540359 | 172015 | 0 | None | 2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| 11155732 | 10447 | 14 | None | 2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL1169543 | 10447 | 14 | None | 2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| 10952349 | 34907 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 564 | 15 | 0 | 10 | 6.8 | CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143434 | 34907 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 564 | 15 | 0 | 10 | 6.8 | CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 9798900 | 62806 | 0 | None | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1779047 | 62806 | 0 | None | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1789446 | 62806 | 0 | None | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 44247935 | 194902 | 0 | None | 2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 294 | 5 | 0 | 3 | 4.1 | C[C@@H](c1ccccn1)c1c(CCN(C)C)oc2ccccc12 | 10.1021/jm900933k | ||
| CHEMBL563920 | 194902 | 0 | None | 2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 294 | 5 | 0 | 3 | 4.1 | C[C@@H](c1ccccn1)c1c(CCN(C)C)oc2ccccc12 | 10.1021/jm900933k | ||
| 49800047 | 14334 | 1 | None | -3 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201024 | 14334 | 1 | None | -3 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201268 | 14334 | 1 | None | -3 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| 59291527 | 111971 | 1 | None | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298333 | 111971 | 1 | None | -2 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 156015300 | 177018 | 0 | None | -4 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 362 | 4 | 2 | 3 | 4.7 | O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4640703 | 177018 | 0 | None | -4 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 362 | 4 | 2 | 3 | 4.7 | O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 16115797 | 137627 | 0 | None | 2 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376870 | 137627 | 0 | None | 2 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 156015097 | 176978 | 0 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 392 | 3 | 1 | 3 | 4.9 | O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4640324 | 176978 | 0 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 392 | 3 | 1 | 3 | 4.9 | O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 59291327 | 112319 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.6 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298597 | 112319 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.6 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307126 | 112319 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.6 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| 11223598 | 106043 | 0 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 330 | 3 | 0 | 2 | 5.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2 | 10.1021/jm900736e | ||
| CHEMBL3084413 | 106043 | 0 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 330 | 3 | 0 | 2 | 5.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2 | 10.1021/jm900736e | ||
| CHEMBL3140264 | 106043 | 0 | None | -1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 330 | 3 | 0 | 2 | 5.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2 | 10.1021/jm900736e | ||
| 59291259 | 111981 | 1 | None | -1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.6 | O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298591 | 111981 | 1 | None | -1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.6 | O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 10316726 | 11923 | 0 | None | 8 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183364 | 11923 | 0 | None | 8 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL292857 | 11923 | 0 | None | 8 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| 9883040 | 100071 | 0 | None | 8 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL291339 | 100071 | 0 | None | 8 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL542622 | 100071 | 0 | None | 8 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 156015976 | 177747 | 0 | None | -2 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccccc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4644192 | 177747 | 0 | None | -2 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccccc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4651109 | 177747 | 0 | None | -2 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccccc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| 10664971 | 102978 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1Cl)C2 | 10.1021/jm950782k | ||
| CHEMBL3084910 | 102978 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1Cl)C2 | 10.1021/jm950782k | ||
| 71450948 | 79126 | 0 | None | 1 | 2 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.6 | CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00090a006 | ||
| CHEMBL2114060 | 79126 | 0 | None | 1 | 2 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.6 | CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00090a006 | ||
| 10496291 | 102946 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 325 | 4 | 0 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1F)C2 | 10.1021/jm950782k | ||
| CHEMBL3084869 | 102946 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 325 | 4 | 0 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1F)C2 | 10.1021/jm950782k | ||
| 25897919 | 55363 | 11 | None | -3 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| 657309 | 55363 | 11 | None | -3 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| CHEMBL1464005 | 55363 | 11 | None | -3 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| CHEMBL1621597 | 55363 | 11 | None | -3 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| 164611189 | 187887 | 0 | None | -2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 944 | 24 | 11 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4851514 | 187887 | 0 | None | -2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 944 | 24 | 11 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028061 | 187887 | 0 | None | -2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 944 | 24 | 11 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10567799 | 102955 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 321 | 4 | 0 | 2 | 4.7 | Cc1ccccc1C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1021/jm950782k | ||
| CHEMBL3084878 | 102955 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 321 | 4 | 0 | 2 | 4.7 | Cc1ccccc1C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1021/jm950782k | ||
| 10628017 | 21516 | 0 | None | -1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL131865 | 21516 | 0 | None | -1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 16115947 | 11744 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182214 | 11744 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL222259 | 11744 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 66875589 | 102915 | 0 | None | 3 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084662 | 102915 | 0 | None | 3 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 57326235 | 76832 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042405 | 76832 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079009 | 76832 | 0 | None | 2 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 162673668 | 182520 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1027 | 18 | 7 | 14 | 7.2 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)c3ccc(-c4c5ccc(=N)c(S(=O)(=O)O)c-5oc5c(S(=O)(=O)O)c(N)ccc45)c(C(=O)O)c3)CC1)c1ccccc1NC2=O | 10.1039/d0md00137f | ||
| CHEMBL4794548 | 182520 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1027 | 18 | 7 | 14 | 7.2 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)c3ccc(-c4c5ccc(=N)c(S(=O)(=O)O)c-5oc5c(S(=O)(=O)O)c(N)ccc45)c(C(=O)O)c3)CC1)c1ccccc1NC2=O | 10.1039/d0md00137f | ||
| 59291461 | 112278 | 0 | None | -2 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298334 | 112278 | 0 | None | -2 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305613 | 112278 | 0 | None | -2 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 75167447 | 177711 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634230 | 177711 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650933 | 177711 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10274019 | 202548 | 0 | None | -7 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 6.0 | COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71124 | 202548 | 0 | None | -7 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 6.0 | COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 11968014 | 12649 | 4 | None | 1 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm960374w | ||
| CHEMBL1187846 | 12649 | 4 | None | 1 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm960374w | ||
| 155157200 | 177364 | 0 | None | -1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccc(F)cc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4645543 | 177364 | 0 | None | -1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccc(F)cc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| 156021744 | 177540 | 0 | None | -1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 374 | 3 | 1 | 3 | 4.8 | O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4648071 | 177540 | 0 | None | -1 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 374 | 3 | 1 | 3 | 4.8 | O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| 10567858 | 177305 | 0 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.0 | O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4644670 | 177305 | 0 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.0 | O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| 156014450 | 177676 | 0 | None | -10 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4636083 | 177676 | 0 | None | -10 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4650652 | 177676 | 0 | None | -10 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 10952416 | 34924 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 578 | 16 | 0 | 10 | 7.2 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143466 | 34924 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 578 | 16 | 0 | 10 | 7.2 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| 1734 | 116 | 8 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | ||
| 307 | 116 | 8 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL168067 | 116 | 8 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | ||
| 156015042 | 177659 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 571 | 12 | 3 | 7 | 3.7 | NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4645845 | 177659 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 571 | 12 | 3 | 7 | 3.7 | NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4650549 | 177659 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 571 | 12 | 3 | 7 | 3.7 | NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 1734 | 116 | 8 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00113-8 | ||
| 307 | 116 | 8 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL168067 | 116 | 8 | None | -1 | 12 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00113-8 | ||
| 14235519 | 16379 | 8 | None | - | 1 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 179 | 1 | 0 | 4 | 1.1 | Cc1noc(C2=CCCN(C)C2)n1 | 10.1021/jm960467d | ||
| CHEMBL12378 | 16379 | 8 | None | - | 1 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 179 | 1 | 0 | 4 | 1.1 | Cc1noc(C2=CCCN(C)C2)n1 | 10.1021/jm960467d | ||
| 1201549 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm0101592 | ||
| 333 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm0101592 | ||
| 7601 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm0101592 | ||
| CHEMBL1201203 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm0101592 | ||
| CHEMBL438151 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm0101592 | ||
| DB00245 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm0101592 | ||
| 1201549 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm950782k | ||
| 333 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm950782k | ||
| 7601 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm950782k | ||
| CHEMBL1201203 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm950782k | ||
| CHEMBL438151 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm950782k | ||
| DB00245 | 590 | 22 | None | -1 | 20 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm950782k | ||
| 136219242 | 89370 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 381 | 2 | 1 | 6 | 3.5 | COc1cc(Br)cc(C2Nc3c(c(C)nn3C)C(=O)CS2)c1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377266 | 89370 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 381 | 2 | 1 | 6 | 3.5 | COc1cc(Br)cc(C2Nc3c(c(C)nn3C)C(=O)CS2)c1 | 10.1016/j.bmc.2013.01.072 | ||
| 10782310 | 102976 | 0 | None | - | 1 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 325 | 4 | 0 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(F)c1)C2 | 10.1021/jm950782k | ||
| CHEMBL3084907 | 102976 | 0 | None | - | 1 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 325 | 4 | 0 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(F)c1)C2 | 10.1021/jm950782k | ||
| 10907744 | 33387 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 476 | 11 | 0 | 10 | 3.8 | CN1CCC=C(c2nsnc2OCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL142126 | 33387 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 476 | 11 | 0 | 10 | 3.8 | CN1CCC=C(c2nsnc2OCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 11691950 | 12653 | 0 | None | -3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| CHEMBL1187853 | 12653 | 0 | None | -3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| CHEMBL524097 | 12653 | 0 | None | -3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| 10567858 | 177305 | 0 | None | -1 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.0 | O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4644670 | 177305 | 0 | None | -1 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.0 | O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| 138710679 | 177601 | 0 | None | -2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 396 | 4 | 2 | 3 | 5.3 | O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4649201 | 177601 | 0 | None | -2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 396 | 4 | 2 | 3 | 5.3 | O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 71452756 | 79131 | 0 | None | -22 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114068 | 79131 | 0 | None | -22 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 11072401 | 30562 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 592 | 17 | 0 | 10 | 7.6 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL139603 | 30562 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 592 | 17 | 0 | 10 | 7.6 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 164624669 | 188001 | 0 | None | -3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4870127 | 188001 | 0 | None | -3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028837 | 188001 | 0 | None | -3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44627858 | 13924 | 0 | None | 2 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197382 | 13924 | 0 | None | 2 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569307 | 13924 | 0 | None | 2 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 162645520 | 183046 | 0 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4742721 | 183046 | 0 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802414 | 183046 | 0 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 164624066 | 187995 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 787 | 18 | 7 | 10 | 1.8 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4864987 | 187995 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 787 | 18 | 7 | 10 | 1.8 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028806 | 187995 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 787 | 18 | 7 | 10 | 1.8 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 138711343 | 177250 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 408 | 3 | 1 | 3 | 5.4 | O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4643867 | 177250 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 408 | 3 | 1 | 3 | 5.4 | O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| 59291421 | 112280 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298592 | 112280 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305620 | 112280 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 138680032 | 177727 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 355 | 3 | 1 | 2 | 4.3 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4639307 | 177727 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 355 | 3 | 1 | 2 | 4.3 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4650981 | 177727 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 355 | 3 | 1 | 2 | 4.3 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| 16115796 | 136693 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL375073 | 136693 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 127044 | 78500 | 1 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(OC1CN2CCC1CC2)C(O)(CC=CI)c1ccccc1 | 10.1021/jm00059a009 | ||
| CHEMBL2112942 | 78500 | 1 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(OC1CN2CCC1CC2)C(O)(CC=CI)c1ccccc1 | 10.1021/jm00059a009 | ||
| 174174 | 519 | 46 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| 260 | 519 | 46 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| 320 | 519 | 46 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| CHEMBL517712 | 519 | 46 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| DB00572 | 519 | 46 | None | -2 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| 10316726 | 11923 | 0 | None | 8 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183364 | 11923 | 0 | None | 8 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL292857 | 11923 | 0 | None | 8 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| 42596929 | 76835 | 0 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042404 | 76835 | 0 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079021 | 76835 | 0 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 156014269 | 176642 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4635500 | 176642 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 3042 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 9936450 | 34929 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143469 | 34929 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 2028 | 2931 | 77 | None | -1 | 11 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2931 | 77 | None | -1 | 11 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2931 | 77 | None | -1 | 11 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2931 | 77 | None | -1 | 11 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2931 | 77 | None | -1 | 11 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 10736160 | 102977 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1cccc(F)c1)c1cccc(F)c1)C2 | 10.1021/jm950782k | ||
| CHEMBL3084909 | 102977 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1cccc(F)c1)c1cccc(F)c1)C2 | 10.1021/jm950782k | ||
| 164612662 | 187898 | 0 | None | -2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 845 | 20 | 8 | 11 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4847898 | 187898 | 0 | None | -2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 845 | 20 | 8 | 11 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028154 | 187898 | 0 | None | -2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 845 | 20 | 8 | 11 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11813912 | 118234 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 508 | 11 | 0 | 10 | 5.3 | CN1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL341759 | 118234 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 508 | 11 | 0 | 10 | 5.3 | CN1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 155523648 | 176019 | 0 | None | -5 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4454300 | 176019 | 0 | None | -5 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597576 | 176019 | 0 | None | -5 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 71449175 | 79242 | 0 | None | -1 | 2 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.6 | CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00090a006 | ||
| CHEMBL2115124 | 79242 | 0 | None | -1 | 2 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.6 | CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00090a006 | ||
| 154417 | 92828 | 57 | None | -1 | 10 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL2449003 | 92828 | 57 | None | -1 | 10 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | ||
| 10503358 | 38450 | 0 | None | 2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 442 | 6 | 2 | 3 | 4.4 | Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL146567 | 38450 | 0 | None | 2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 442 | 6 | 2 | 3 | 4.4 | Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| 14537188 | 136023 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL37372 | 136023 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| 16115799 | 83029 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL219825 | 83029 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 164625454 | 188006 | 0 | None | -4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1001 | 26 | 12 | 13 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862735 | 188006 | 0 | None | -4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1001 | 26 | 12 | 13 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028885 | 188006 | 0 | None | -4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1001 | 26 | 12 | 13 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 118719922 | 115275 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115275 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 162654942 | 183089 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4754371 | 183089 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802913 | 183089 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| 10929712 | 33457 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 480 | 9 | 0 | 10 | 4.5 | CN1CCC=C(c2nsnc2SCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL142184 | 33457 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 480 | 9 | 0 | 10 | 4.5 | CN1CCC=C(c2nsnc2SCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 138710768 | 177239 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 354 | 3 | 1 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4643643 | 177239 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 354 | 3 | 1 | 3 | 4.7 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| 164622945 | 187980 | 0 | None | -6 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 646 | 14 | 6 | 7 | 3.6 | N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4871700 | 187980 | 0 | None | -6 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 646 | 14 | 6 | 7 | 3.6 | N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028723 | 187980 | 0 | None | -6 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 646 | 14 | 6 | 7 | 3.6 | N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| 1201549 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| 333 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| 7601 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| CHEMBL1201203 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| CHEMBL438151 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| DB00245 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| 11561621 | 200118 | 0 | None | 3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccsc1 | 10.1021/jm050099q | ||
| CHEMBL606903 | 200118 | 0 | None | 3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccsc1 | 10.1021/jm050099q | ||
| 11766733 | 155213 | 0 | None | -4 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL1202003 | 155213 | 0 | None | -4 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL405739 | 155213 | 0 | None | -4 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| 16115943 | 11742 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182205 | 11742 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL220393 | 11742 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 164614083 | 187907 | 0 | None | -4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4855492 | 187907 | 0 | None | -4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028231 | 187907 | 0 | None | -4 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162649253 | 183063 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4748004 | 183063 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4802611 | 183063 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 15888011 | 202610 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 302 | 3 | 2 | 3 | 2.0 | NC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL71431 | 202610 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 302 | 3 | 2 | 3 | 2.0 | NC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10664970 | 102947 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(Cl)c1)C2 | 10.1021/jm000417f | ||
| CHEMBL3084870 | 102947 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(Cl)c1)C2 | 10.1021/jm000417f | ||
| 135398737 | 944 | 89 | None | -2 | 91 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0002432 | ||
| 38 | 944 | 89 | None | -2 | 91 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0002432 | ||
| 722 | 944 | 89 | None | -2 | 91 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0002432 | ||
| CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0002432 | ||
| DB00363 | 944 | 89 | None | -2 | 91 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0002432 | ||
| 10664970 | 102947 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(Cl)c1)C2 | 10.1021/jm950782k | ||
| CHEMBL3084870 | 102947 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(Cl)c1)C2 | 10.1021/jm950782k | ||
| 44309231 | 168931 | 0 | None | 7 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 394 | 6 | 2 | 3 | 3.7 | CCC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL443267 | 168931 | 0 | None | 7 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 394 | 6 | 2 | 3 | 3.7 | CCC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 2028 | 2931 | 77 | None | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| 359 | 2931 | 77 | None | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| 4634 | 2931 | 77 | None | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL1231 | 2931 | 77 | None | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| DB01062 | 2931 | 77 | None | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| 44233190 | 102927 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084679 | 102927 | 0 | None | 2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 162645520 | 183046 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4742721 | 183046 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802414 | 183046 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 101882890 | 115276 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115276 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 14235519 | 16379 | 8 | None | - | 1 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 179 | 1 | 0 | 4 | 1.1 | Cc1noc(C2=CCCN(C)C2)n1 | 10.1021/jm960467d | ||
| CHEMBL12378 | 16379 | 8 | None | - | 1 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 179 | 1 | 0 | 4 | 1.1 | Cc1noc(C2=CCCN(C)C2)n1 | 10.1021/jm960467d | ||
| 13567081 | 11130 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1178839 | 11130 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL45454 | 11130 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 10336462 | 102959 | 0 | None | 13 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 325 | 4 | 0 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(F)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084883 | 102959 | 0 | None | 13 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 325 | 4 | 0 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(F)cc1)C2 | 10.1021/jm00020a006 | ||
| 155619955 | 176951 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 3.7 | CN1[C@H]2C[C@@H](OC(=O)Nc3ccc(F)cc3-c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4639938 | 176951 | 0 | None | -1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 368 | 3 | 1 | 4 | 3.7 | CN1[C@H]2C[C@@H](OC(=O)Nc3ccc(F)cc3-c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/acs.jmedchem.0c00297 | ||
| 156015047 | 177691 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 409 | 4 | 1 | 2 | 5.3 | C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4645235 | 177691 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 409 | 4 | 1 | 2 | 5.3 | C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4650768 | 177691 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 409 | 4 | 1 | 2 | 5.3 | C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 1734 | 116 | 8 | None | -1 | 12 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 307 | 116 | 8 | None | -1 | 12 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL168067 | 116 | 8 | None | -1 | 12 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 23615560 | 102966 | 1 | None | - | 1 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 322 | 4 | 1 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1N)C2 | 10.1021/jm950782k | ||
| CHEMBL3084891 | 102966 | 1 | None | - | 1 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 322 | 4 | 1 | 3 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1N)C2 | 10.1021/jm950782k | ||
| 302 | 2929 | 23 | None | 3 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.12.036 | ||
| 4630 | 2929 | 23 | None | 3 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL7634 | 2929 | 23 | None | 3 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.12.036 | ||
| 164619001 | 187951 | 0 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 887 | 22 | 9 | 11 | 2.3 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4871153 | 187951 | 0 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 887 | 22 | 9 | 11 | 2.3 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028529 | 187951 | 0 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 887 | 22 | 9 | 11 | 2.3 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164628529 | 188029 | 0 | None | -5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 914 | 17 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4876725 | 188029 | 0 | None | -5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 914 | 17 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029058 | 188029 | 0 | None | -5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 914 | 17 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| 9912392 | 116179 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 466 | 8 | 0 | 10 | 4.1 | CN1CCC=C(c2nsnc2SCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL337131 | 116179 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 466 | 8 | 0 | 10 | 4.1 | CN1CCC=C(c2nsnc2SCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 6472 | 201059 | 33 | None | 4 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL61946 | 201059 | 33 | None | 4 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| 10646948 | 37649 | 0 | None | 4 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 444 | 6 | 3 | 4 | 3.8 | O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL145913 | 37649 | 0 | None | 4 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 444 | 6 | 3 | 4 | 3.8 | O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm201348t | ||
| 6472 | 201059 | 33 | None | 4 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL61946 | 201059 | 33 | None | 4 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00114a005 | ||
| 15108133 | 110813 | 0 | None | 3 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.8 | CN1CC2CC1C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL326640 | 110813 | 0 | None | 3 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.8 | CN1CC2CC1C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 155550632 | 175955 | 0 | None | -19 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4540949 | 175955 | 0 | None | -19 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597071 | 175955 | 0 | None | -19 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44627853 | 196004 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL571121 | 196004 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 44627740 | 197080 | 0 | None | 5 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL583051 | 197080 | 0 | None | 5 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 164611865 | 187892 | 0 | None | -15 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4856113 | 187892 | 0 | None | -15 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028107 | 187892 | 0 | None | -15 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164626501 | 188011 | 0 | None | -7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4874955 | 188011 | 0 | None | -7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028936 | 188011 | 0 | None | -7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155556290 | 175882 | 0 | None | -7 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4554682 | 175882 | 0 | None | -7 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596434 | 175882 | 0 | None | -7 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44233192 | 106000 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084643 | 106000 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3140141 | 106000 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 57326326 | 76825 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042553 | 76825 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078942 | 76825 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 57326326 | 76825 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2042553 | 76825 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2078942 | 76825 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 14939897 | 96101 | 0 | None | 2 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201994 | 96101 | 0 | None | 2 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL262913 | 96101 | 0 | None | 2 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 164615275 | 187923 | 0 | None | -8 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 859 | 20 | 9 | 11 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4861252 | 187923 | 0 | None | -8 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 859 | 20 | 9 | 11 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028304 | 187923 | 0 | None | -8 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 859 | 20 | 9 | 11 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 315401 | 89382 | 3 | None | 2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 343 | 8 | 1 | 4 | 3.5 | CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377387 | 89382 | 3 | None | 2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 343 | 8 | 1 | 4 | 3.5 | CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 44308832 | 202116 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 2.8 | NCC=C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL68384 | 202116 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 2.8 | NCC=C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 15392110 | 105006 | 0 | None | -6 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 412 | 5 | 0 | 4 | 4.5 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL312085 | 105006 | 0 | None | -6 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 412 | 5 | 0 | 4 | 4.5 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 24846938 | 89371 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 339 | 8 | 1 | 5 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377267 | 89371 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 339 | 8 | 1 | 5 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 164622681 | 187977 | 0 | None | -13 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4864727 | 187977 | 0 | None | -13 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028712 | 187977 | 0 | None | -13 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162645430 | 183045 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4744233 | 183045 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802409 | 183045 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 2745 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 5572 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 66007 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 7315 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| CHEMBL1490 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| DB00376 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 16115951 | 141111 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL385328 | 141111 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 156020548 | 177604 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4649224 | 177604 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 174174 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| 260 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| 320 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL517712 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| DB00572 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| 44404147 | 168524 | 6 | None | 3 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL439867 | 168524 | 6 | None | 3 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| 174174 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| 260 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| 320 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL517712 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| DB00572 | 519 | 46 | None | -2 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2012.10.132 | ||
| 10621363 | 121176 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL358726 | 121176 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | 10.1021/jm0003135 | ||
| 155550436 | 175927 | 0 | None | -17 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4569639 | 175927 | 0 | None | -17 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596780 | 175927 | 0 | None | -17 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155525097 | 170383 | 0 | None | -18 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 712 | 13 | 1 | 10 | 5.5 | CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4455570 | 170383 | 0 | None | -18 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 712 | 13 | 1 | 10 | 5.5 | CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 16115798 | 137352 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376255 | 137352 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 1687 | 103930 | 15 | None | 15 | 5 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm950782k | ||
| CHEMBL310310 | 103930 | 15 | None | 15 | 5 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm950782k | ||
| CHEMBL540034 | 103930 | 15 | None | 15 | 5 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm950782k | ||
| 44308733 | 101720 | 0 | None | 2 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 380 | 5 | 2 | 3 | 3.3 | CC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL302809 | 101720 | 0 | None | 2 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 380 | 5 | 2 | 3 | 3.3 | CC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 9846311 | 202313 | 8 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69678 | 202313 | 8 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10497101 | 70125 | 0 | None | 1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 336 | 4 | 1 | 3 | 3.6 | O=C(NC(c1ccccc1)c1ccccc1)OC1CN2CCC1CC2 | 10.1021/jm050099q | ||
| CHEMBL194628 | 70125 | 0 | None | 1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 336 | 4 | 1 | 3 | 3.6 | O=C(NC(c1ccccc1)c1ccccc1)OC1CN2CCC1CC2 | 10.1021/jm050099q | ||
| 9960272 | 31062 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 596 | 19 | 0 | 14 | 2.4 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL140142 | 31062 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 596 | 19 | 0 | 14 | 2.4 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 9846311 | 202313 | 8 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1021/jm0003135 | ||
| CHEMBL69678 | 202313 | 8 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1021/jm0003135 | ||
| 25897919 | 55363 | 11 | None | -3 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| 657309 | 55363 | 11 | None | -3 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| CHEMBL1464005 | 55363 | 11 | None | -3 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| CHEMBL1621597 | 55363 | 11 | None | -3 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| 164616463 | 187929 | 0 | None | -14 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 860 | 22 | 9 | 12 | 0.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4859378 | 187929 | 0 | None | -14 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 860 | 22 | 9 | 12 | 0.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028381 | 187929 | 0 | None | -14 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 860 | 22 | 9 | 12 | 0.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN | 10.1016/j.ejmech.2021.113159 | ||
| 137630050 | 160493 | 0 | None | -4 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | -4 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | -4 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | -4 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 132947 | 3803 | 8 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | ||
| 361 | 3803 | 8 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL265256 | 3803 | 8 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | ||
| 155519740 | 169838 | 0 | None | -5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1125 | 29 | 4 | 14 | 9.6 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4448108 | 169838 | 0 | None | -5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1125 | 29 | 4 | 14 | 9.6 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.8b01967 | ||
| 69058946 | 105993 | 0 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084658 | 105993 | 0 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3140110 | 105993 | 0 | None | 1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 162673668 | 182520 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1027 | 18 | 7 | 14 | 7.2 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)c3ccc(-c4c5ccc(=N)c(S(=O)(=O)O)c-5oc5c(S(=O)(=O)O)c(N)ccc45)c(C(=O)O)c3)CC1)c1ccccc1NC2=O | 10.1039/d0md00137f | ||
| CHEMBL4794548 | 182520 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1027 | 18 | 7 | 14 | 7.2 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)c3ccc(-c4c5ccc(=N)c(S(=O)(=O)O)c-5oc5c(S(=O)(=O)O)c(N)ccc45)c(C(=O)O)c3)CC1)c1ccccc1NC2=O | 10.1039/d0md00137f | ||
| 4134 | 72341 | 10 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 342 | 8 | 1 | 3 | 3.0 | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL1996652 | 72341 | 10 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 342 | 8 | 1 | 3 | 3.0 | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2106570 | 72341 | 10 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 342 | 8 | 1 | 3 | 3.0 | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 9937709 | 33875 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 17 | 0 | 10 | 6.2 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL142538 | 33875 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 17 | 0 | 10 | 6.2 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 156015648 | 177740 | 0 | None | -8 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1021 | 18 | 5 | 12 | 5.5 | NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641328 | 177740 | 0 | None | -8 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1021 | 18 | 5 | 12 | 5.5 | NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651078 | 177740 | 0 | None | -8 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1021 | 18 | 5 | 12 | 5.5 | NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| 9936450 | 34929 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | ||
| CHEMBL143469 | 34929 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | ||
| 100 | 3745 | 52 | None | -2 | 55 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3745 | 52 | None | -2 | 55 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3745 | 52 | None | -2 | 55 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3745 | 52 | None | -2 | 55 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3745 | 52 | None | -2 | 55 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 14939891 | 168798 | 0 | None | -2 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL442014 | 168798 | 0 | None | -2 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 162677513 | 183162 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4789147 | 183162 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4803695 | 183162 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 44308861 | 201834 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 316 | 4 | 2 | 3 | 2.3 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL66400 | 201834 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 316 | 4 | 2 | 3 | 2.3 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 11501540 | 133080 | 0 | None | 3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 | 10.1021/jm050099q | ||
| CHEMBL371293 | 133080 | 0 | None | 3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 | 10.1021/jm050099q | ||
| 135398737 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| 38 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| 722 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| DB00363 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| 44431393 | 87596 | 0 | None | -15 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 402 | 6 | 1 | 5 | 3.5 | CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234440 | 87596 | 0 | None | -15 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 402 | 6 | 1 | 5 | 3.5 | CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 156013794 | 176702 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 310 | 4 | 2 | 3 | 3.9 | O=C(Nc1ccccc1-c1ccccc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4636302 | 176702 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 310 | 4 | 2 | 3 | 3.9 | O=C(Nc1ccccc1-c1ccccc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 156011670 | 177742 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 4 | 1 | 2 | 5.2 | C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)CC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4636887 | 177742 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 4 | 1 | 2 | 5.2 | C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)CC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4651086 | 177742 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 4 | 1 | 2 | 5.2 | C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)CC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 135398737 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2011.12.019 | ||
| 38 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2011.12.019 | ||
| 722 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2011.12.019 | ||
| CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2011.12.019 | ||
| DB00363 | 944 | 89 | None | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1016/j.bmc.2011.12.019 | ||
| 5387 | 94438 | 24 | None | 1 | 6 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | 10.1021/jm00111a032 | ||
| CHEMBL253978 | 94438 | 24 | None | 1 | 6 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | 10.1021/jm00111a032 | ||
| 14939896 | 81675 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201996 | 81675 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL216566 | 81675 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 15157137 | 99433 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 7 | 0 | 3 | 4.0 | CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL286008 | 99433 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 7 | 0 | 3 | 4.0 | CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 9874177 | 30782 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 640 | 22 | 0 | 15 | 2.4 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL139887 | 30782 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 640 | 22 | 0 | 15 | 2.4 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 164618444 | 187944 | 0 | None | -9 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 873 | 21 | 9 | 11 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852186 | 187944 | 0 | None | -9 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 873 | 21 | 9 | 11 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028499 | 187944 | 0 | None | -9 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 873 | 21 | 9 | 11 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 154059 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| 2457 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| 7483 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| CHEMBL1734 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| DB01591 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2013.01.044 | ||
| 156015153 | 177732 | 0 | None | -2 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641714 | 177732 | 0 | None | -2 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651018 | 177732 | 0 | None | -2 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 155562285 | 175269 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4585326 | 175269 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 44593619 | 186877 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493980 | 186877 | 0 | None | 2 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 135398745 | 2869 | 108 | None | -5 | 65 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| 47 | 2869 | 108 | None | -5 | 65 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| CHEMBL715 | 2869 | 108 | None | -5 | 65 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| DB00334 | 2869 | 108 | None | -5 | 65 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| 44312007 | 168599 | 0 | None | -34 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 8 | 0 | 6 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL440491 | 168599 | 0 | None | -34 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 8 | 0 | 6 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 73345823 | 89385 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 305 | 10 | 0 | 3 | 4.1 | CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377392 | 89385 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 305 | 10 | 0 | 3 | 4.1 | CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 44311823 | 202503 | 0 | None | -23 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 8 | 0 | 6 | 6.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL70860 | 202503 | 0 | None | -23 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 8 | 0 | 6 | 6.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44337747 | 109185 | 0 | None | 1 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 5.6 | CC(C(=O)O[C@H]1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1 | 10.1021/jm00115a003 | ||
| CHEMBL322582 | 109185 | 0 | None | 1 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 5.6 | CC(C(=O)O[C@H]1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1 | 10.1021/jm00115a003 | ||
| 118719923 | 115277 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 621 | 18 | 0 | 7 | 7.6 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354070 | 115277 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 621 | 18 | 0 | 7 | 7.6 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 10242813 | 36247 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 226 | 1 | 0 | 3 | 2.9 | C1=C(c2nc3ccccc3o2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144751 | 36247 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 226 | 1 | 0 | 3 | 2.9 | C1=C(c2nc3ccccc3o2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 135398737 | 944 | 89 | None | -2 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 38 | 944 | 89 | None | -2 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 722 | 944 | 89 | None | -2 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB00363 | 944 | 89 | None | -2 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 135398745 | 2869 | 108 | None | -5 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 47 | 2869 | 108 | None | -5 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| CHEMBL715 | 2869 | 108 | None | -5 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| DB00334 | 2869 | 108 | None | -5 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 2337 | 3205 | 72 | None | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| 50 | 3205 | 72 | None | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| 5002 | 3205 | 72 | None | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| CHEMBL716 | 3205 | 72 | None | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| DB01224 | 3205 | 72 | None | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| 155557119 | 175937 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4555411 | 175937 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4596899 | 175937 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 71575117 | 85798 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 353 | 6 | 0 | 3 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312392 | 85798 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 353 | 6 | 0 | 3 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1 | 10.1021/jm301774u | ||
| 10420536 | 19374 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 206 | 4 | 1 | 4 | 1.5 | CCCCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL129998 | 19374 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 206 | 4 | 1 | 4 | 1.5 | CCCCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 10104047 | 21437 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL131777 | 21437 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 9809330 | 115499 | 0 | None | -8 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| CHEMBL335542 | 115499 | 0 | None | -8 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| 16094810 | 137360 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| CHEMBL376295 | 137360 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| 127041952 | 137473 | 0 | None | -39 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 467 | 7 | 0 | 8 | 4.4 | Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1016/j.bmcl.2015.12.081 | ||
| CHEMBL3764557 | 137473 | 0 | None | -39 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 467 | 7 | 0 | 8 | 4.4 | Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)n1C | 10.1016/j.bmcl.2015.12.081 | ||
| 127040715 | 137539 | 0 | None | -89 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 505 | 8 | 1 | 7 | 4.2 | Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1 | 10.1016/j.bmcl.2015.12.081 | ||
| CHEMBL3765426 | 137539 | 0 | None | -89 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 505 | 8 | 1 | 7 | 4.2 | Cn1c(SCCCN2CCOC(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1 | 10.1016/j.bmcl.2015.12.081 | ||
| 12310489 | 206653 | 0 | None | -1 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00566-8 | ||
| CHEMBL99618 | 206653 | 0 | None | -1 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00566-8 | ||
| 2337 | 3205 | 72 | None | -18 | 62 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 50 | 3205 | 72 | None | -18 | 62 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 5002 | 3205 | 72 | None | -18 | 62 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL716 | 3205 | 72 | None | -18 | 62 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB01224 | 3205 | 72 | None | -18 | 62 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 10467020 | 185710 | 1 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 244 | 1 | 0 | 2 | 3.3 | Clc1ccc2c(c1)CN(c1ccncc1)CC2 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL48743 | 185710 | 1 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 244 | 1 | 0 | 2 | 3.3 | Clc1ccc2c(c1)CN(c1ccncc1)CC2 | 10.1016/s0960-894x(03)00232-4 | ||
| 137628788 | 160445 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CC([N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4085150 | 160445 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CC([N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116149 | 160445 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CC([N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 71455951 | 83443 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm201348t | ||
| CHEMBL2206333 | 83443 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 870 | 20 | 1 | 9 | 8.3 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm201348t | ||
| 10109893 | 81753 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL216983 | 81753 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL544840 | 81753 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| 44318929 | 106379 | 0 | None | -16 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| CHEMBL314493 | 106379 | 0 | None | -16 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| 9818955 | 9253 | 1 | None | -2 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| CHEMBL111224 | 9253 | 1 | None | -2 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| 44318787 | 204205 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 365 | 3 | 1 | 4 | 3.1 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)Cc1ccc2ccccc2c1 | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL84109 | 204205 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 365 | 3 | 1 | 4 | 3.1 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)Cc1ccc2ccccc2c1 | 10.1016/0960-894X(96)00471-4 | ||
| 6604789 | 100578 | 3 | None | -39 | 10 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| CHEMBL294649 | 100578 | 3 | None | -39 | 10 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| 208598 | 35699 | 4 | None | 1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.0 | OC1(c2ccccn2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144247 | 35699 | 4 | None | 1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.0 | OC1(c2ccccn2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 10443767 | 13769 | 1 | None | 3 | 2 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2nncc3ccccc23)CC1 | 10.1021/jm9705418 | ||
| CHEMBL1196108 | 13769 | 1 | None | 3 | 2 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2nncc3ccccc23)CC1 | 10.1021/jm9705418 | ||
| CHEMBL555955 | 13769 | 1 | None | 3 | 2 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2nncc3ccccc23)CC1 | 10.1021/jm9705418 | ||
| 45786849 | 157263 | 28 | None | 1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 192 | 3 | 1 | 3 | 1.4 | c1cncc(COC2CCCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4083241 | 157263 | 28 | None | 1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 192 | 3 | 1 | 3 | 1.4 | c1cncc(COC2CCCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 56593934 | 65364 | 0 | None | -2630 | 8 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 383 | 3 | 2 | 4 | 1.7 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2 | 10.1021/jm200466r | ||
| CHEMBL1834350 | 65364 | 0 | None | -2630 | 8 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 383 | 3 | 2 | 4 | 1.7 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2 | 10.1021/jm200466r | ||
| 4595 | 176141 | 102 | None | -4 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | 10.1021/jm00075a026 | ||
| CHEMBL46 | 176141 | 102 | None | -4 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | 10.1021/jm00075a026 | ||
| 10377007 | 105089 | 0 | None | - | 1 | Rat | 4.0 | pKi | = | 4 | Binding | ChEMBL | 240 | 1 | 2 | 4 | 0.3 | CC1OC2(CCN(C)CC2)C/C1=N\NC(N)=O | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL312200 | 105089 | 0 | None | - | 1 | Rat | 4.0 | pKi | = | 4 | Binding | ChEMBL | 240 | 1 | 2 | 4 | 0.3 | CC1OC2(CCN(C)CC2)C/C1=N\NC(N)=O | 10.1016/0960-894X(96)00471-4 | ||
| 10037260 | 204172 | 1 | None | - | 1 | Rat | 4.0 | pKi | = | 4 | Binding | ChEMBL | 239 | 1 | 1 | 4 | 0.8 | CC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL83874 | 204172 | 1 | None | - | 1 | Rat | 4.0 | pKi | = | 4 | Binding | ChEMBL | 239 | 1 | 1 | 4 | 0.8 | CC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 108993439 | 179280 | 1 | None | -4 | 4 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | CC1Cc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4745429 | 179280 | 1 | None | -4 | 4 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | CC1Cc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 3191 | 102385 | 93 | None | -19 | 25 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102385 | 93 | None | -19 | 25 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 164627387 | 188021 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4874785 | 188021 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028995 | 188021 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 71461681 | 79130 | 0 | None | -29 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114067 | 79130 | 0 | None | -29 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 24810004 | 16373 | 0 | None | -14 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 6 | 0 | 2 | 6.3 | Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL12375 | 16373 | 0 | None | -14 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 6 | 0 | 2 | 6.3 | Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| 129989 | 447 | 41 | None | -12 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | ||
| 8584 | 447 | 41 | None | -12 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | ||
| CHEMBL43383 | 447 | 41 | None | -12 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | ||
| 73348823 | 89369 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 10 | 0 | 4 | 4.3 | CCN(CC)CCSC(C(=O)OCC=C(C)C)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377264 | 89369 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 10 | 0 | 4 | 4.3 | CCN(CC)CCSC(C(=O)OCC=C(C)C)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 11099206 | 120274 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355455 | 120274 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 155559291 | 176085 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4563530 | 176085 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4598099 | 176085 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 109013312 | 179554 | 1 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4748774 | 179554 | 1 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 133640439 | 180791 | 1 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4763304 | 180791 | 1 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 44385510 | 130370 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 325 | 4 | 1 | 3 | 1.7 | CCN(CC)CC#CCN1C(=O)NC2(CCc3ccccc32)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL368568 | 130370 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 325 | 4 | 1 | 3 | 1.7 | CCN(CC)CC#CCN1C(=O)NC2(CCc3ccccc32)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| 71456286 | 79188 | 0 | None | 1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | CN1CCC[C@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL2114430 | 79188 | 0 | None | 1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | CN1CCC[C@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 10473919 | 203024 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 11 | 0 | 5 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccc(OC)cc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL74305 | 203024 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 11 | 0 | 5 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccc(OC)cc2)CCCC1 | 10.1021/jm00041a006 | ||
| 44312455 | 202854 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 490 | 6 | 0 | 6 | 3.9 | CC(c1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL72956 | 202854 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 490 | 6 | 0 | 6 | 3.9 | CC(c1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44290990 | 13704 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 411 | 6 | 0 | 2 | 6.4 | Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL1195708 | 13704 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 411 | 6 | 0 | 2 | 6.4 | Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL555180 | 13704 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 411 | 6 | 0 | 2 | 6.4 | Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 | 10.1021/jm030430a | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| 155548586 | 176023 | 0 | None | -19 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4537517 | 176023 | 0 | None | -19 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597611 | 176023 | 0 | None | -19 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44593620 | 187353 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496915 | 187353 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 132712 | 171232 | 13 | None | -35 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 567 | 10 | 1 | 5 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4468100 | 171232 | 13 | None | -35 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 567 | 10 | 1 | 5 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10865439 | 20425 | 0 | None | -11 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 715 | 15 | 0 | 6 | 7.6 | COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| CHEMBL130835 | 20425 | 0 | None | -11 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 715 | 15 | 0 | 6 | 7.6 | COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| 122194369 | 123485 | 0 | None | -2 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 383 | 7 | 0 | 5 | 3.5 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629529 | 123485 | 0 | None | -2 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 383 | 7 | 0 | 5 | 3.5 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| 657255 | 197406 | 29 | None | -12 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 197406 | 29 | None | -12 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 10660 | 14298 | 55 | None | -2 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| CHEMBL1200406 | 14298 | 55 | None | -2 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 16045712 | 81993 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 3.9 | CN1C2CCC1[C@@H](CO)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| CHEMBL217295 | 81993 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 3.9 | CN1C2CCC1[C@@H](CO)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| 44593617 | 186848 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493795 | 186848 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44593616 | 192611 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL523518 | 192611 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 657347 | 5007 | 2 | None | -93 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL105457 | 5007 | 2 | None | -93 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL387632 | 5007 | 2 | None | -93 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 6603753 | 108215 | 1 | None | -5 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL320820 | 108215 | 1 | None | -5 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 657347 | 5007 | 2 | None | -93 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL105457 | 5007 | 2 | None | -93 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL387632 | 5007 | 2 | None | -93 | 6 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| 44309153 | 201820 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 352 | 4 | 2 | 3 | 2.5 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL66322 | 201820 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 352 | 4 | 2 | 3 | 2.5 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44308900 | 202298 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 1.4 | NCCN1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69582 | 202298 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 1.4 | NCCN1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 25053351 | 172436 | 0 | None | -52 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm8003625 | ||
| CHEMBL451821 | 172436 | 0 | None | -52 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm8003625 | ||
| 46878242 | 200126 | 0 | None | 13 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1C[C@H](O)c2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL606962 | 200126 | 0 | None | 13 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1C[C@H](O)c2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| 25053351 | 172436 | 0 | None | -52 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm900480x | ||
| CHEMBL451821 | 172436 | 0 | None | -52 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 5.0 | CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C | 10.1021/jm900480x | ||
| 44312083 | 202782 | 0 | None | -13 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 426 | 5 | 0 | 4 | 4.8 | Cc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL72455 | 202782 | 0 | None | -13 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 426 | 5 | 0 | 4 | 4.8 | Cc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44627748 | 13980 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197705 | 13980 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL583027 | 13980 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 3929516 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/s0960-894x(02)00155-5 | ||
| CHEMBL317757 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/s0960-894x(02)00155-5 | ||
| 3929516 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| CHEMBL317757 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| 3929516 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| CHEMBL317757 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| 3929516 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0300375 | ||
| CHEMBL317757 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0300375 | ||
| 3929516 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| CHEMBL317757 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| 3929516 | 106886 | 2 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL317757 | 106886 | 2 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| 3929516 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL317757 | 106886 | 2 | None | 1 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| 164616706 | 187930 | 0 | None | -19 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4850130 | 187930 | 0 | None | -19 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028391 | 187930 | 0 | None | -19 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11767229 | 78507 | 0 | None | -109 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 15 | 2 | 3 | 7.5 | O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112956 | 78507 | 0 | None | -109 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 15 | 2 | 3 | 7.5 | O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 15196354 | 118765 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 244 | 1 | 0 | 1 | 2.5 | C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2 | 10.1021/jm00003a011 | ||
| CHEMBL343697 | 118765 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 244 | 1 | 0 | 1 | 2.5 | C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2 | 10.1021/jm00003a011 | ||
| 10467755 | 120587 | 2 | None | 3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 259 | 1 | 1 | 3 | 2.8 | OC1(c2cc3ccccc3s2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL357200 | 120587 | 2 | None | 3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 259 | 1 | 1 | 3 | 2.8 | OC1(c2cc3ccccc3s2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 9856417 | 119999 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 255 | 2 | 2 | 4 | 1.7 | Nc1cc(CO)nc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL354482 | 119999 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 255 | 2 | 2 | 4 | 1.7 | Nc1cc(CO)nc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| 11819670 | 19581 | 1 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 181 | 2 | 1 | 5 | 0.2 | CCn1nnc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL130148 | 19581 | 1 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 181 | 2 | 1 | 5 | 0.2 | CCn1nnc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 44290833 | 13880 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 431 | 6 | 0 | 2 | 6.7 | CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL1196978 | 13880 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 431 | 6 | 0 | 2 | 6.7 | CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL558823 | 13880 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 431 | 6 | 0 | 2 | 6.7 | CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| 10131987 | 168793 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 339 | 3 | 1 | 5 | 2.5 | CCOC(=O)C(=O)Nc1cc(N2CCc3ccccc3C2)cc(C)n1 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL441973 | 168793 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 339 | 3 | 1 | 5 | 2.5 | CCOC(=O)C(=O)Nc1cc(N2CCc3ccccc3C2)cc(C)n1 | 10.1016/s0960-894x(03)00232-4 | ||
| 15157140 | 99412 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 359 | 10 | 0 | 3 | 5.2 | CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL285898 | 99412 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 359 | 10 | 0 | 3 | 5.2 | CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 9889312 | 78021 | 0 | None | -21 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2111540 | 78021 | 0 | None | -21 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 9889312 | 78021 | 0 | None | -21 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | -21 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 9905964 | 164861 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.6 | CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| CHEMBL423832 | 164861 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.6 | CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1 | 10.1016/S0960-894X(00)80540-5 | ||
| 162353381 | 179449 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4747438 | 179449 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | ||
| 71449148 | 79128 | 0 | None | -14 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114064 | 79128 | 0 | None | -14 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 155523889 | 175950 | 0 | None | -14 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4454134 | 175950 | 0 | None | -14 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597014 | 175950 | 0 | None | -14 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 5353853 | 17803 | 41 | None | -14 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 9556529 | 17803 | 41 | None | -14 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1262 | 17803 | 41 | None | -14 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 44417417 | 140891 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 441 | 8 | 0 | 4 | 5.0 | C=CCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| CHEMBL384104 | 140891 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 441 | 8 | 0 | 4 | 5.0 | C=CCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| 162353386 | 180398 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758635 | 180398 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 44274441 | 98636 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL280684 | 98636 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 162353372 | 180805 | 0 | None | -3 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4763422 | 180805 | 0 | None | -3 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| 4098 | 32289 | 24 | None | -20 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32289 | 24 | None | -20 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32289 | 24 | None | -20 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| 44291024 | 74111 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 431 | 6 | 0 | 2 | 6.7 | CN1C2CCC1[C@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL2021540 | 74111 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 431 | 6 | 0 | 2 | 6.7 | CN1C2CCC1[C@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL2027917 | 74111 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 431 | 6 | 0 | 2 | 6.7 | CN1C2CCC1[C@H](COC(c1ccccc1)c1ccccc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| 44311704 | 202500 | 0 | None | -53 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 510 | 7 | 0 | 5 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL70848 | 202500 | 0 | None | -53 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 510 | 7 | 0 | 5 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 10330721 | 37300 | 2 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 209 | 1 | 1 | 3 | 1.7 | OC1(c2cccs2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL145608 | 37300 | 2 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 209 | 1 | 1 | 3 | 1.7 | OC1(c2cccs2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 350 | 3500 | 4 | None | -26 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N | 10.1016/s0960-894x(00)00438-8 | ||
| 9867750 | 3500 | 4 | None | -26 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL73341 | 3500 | 4 | None | -26 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N | 10.1016/s0960-894x(00)00438-8 | ||
| 2284 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3133 | 27 | None | -12 | 28 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 44593624 | 187546 | 0 | None | 1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498357 | 187546 | 0 | None | 1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL554916 | 187546 | 0 | None | 1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 15678858 | 101679 | 0 | None | 5 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 7 | 2 | 6 | 2.1 | NCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL302544 | 101679 | 0 | None | 5 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 7 | 2 | 6 | 2.1 | NCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 71575220 | 85789 | 0 | None | -4 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)c(F)c2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312379 | 85789 | 0 | None | -4 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)c(F)c2)C1 | 10.1021/jm301774u | ||
| 10874119 | 4838 | 0 | None | -16 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| CHEMBL104574 | 4838 | 0 | None | -16 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| 10982070 | 5096 | 0 | None | -6 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 392 | 2 | 0 | 6 | 3.7 | COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105945 | 5096 | 0 | None | -6 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 392 | 2 | 0 | 6 | 3.7 | COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 164614364 | 187911 | 0 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 733 | 15 | 9 | 10 | -1.0 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4847458 | 187911 | 0 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 733 | 15 | 9 | 10 | -1.0 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028248 | 187911 | 0 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 733 | 15 | 9 | 10 | -1.0 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 611101 | 202181 | 2 | None | 1 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 380 | 4 | 2 | 6 | 0.9 | NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL68771 | 202181 | 2 | None | 1 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 380 | 4 | 2 | 6 | 0.9 | NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL1200633 | 206858 | 3 | None | -4 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
| 11595794 | 135178 | 0 | None | 2 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 2 | 0 | 3 | 4.4 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 | 10.1021/jm050099q | ||
| CHEMBL372983 | 135178 | 0 | None | 2 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 2 | 0 | 3 | 4.4 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 | 10.1021/jm050099q | ||
| 44431383 | 87594 | 0 | None | -6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 346 | 6 | 1 | 4 | 3.7 | CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234439 | 87594 | 0 | None | -6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 346 | 6 | 1 | 4 | 3.7 | CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 44593625 | 187547 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498358 | 187547 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539120 | 187547 | 0 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 119357 | 301 | 42 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/0960-894X(96)00107-2 | ||
| 3264 | 301 | 42 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/0960-894X(96)00107-2 | ||
| 368 | 301 | 42 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/0960-894X(96)00107-2 | ||
| CHEMBL279453 | 301 | 42 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/0960-894X(96)00107-2 | ||
| 9976808 | 102967 | 0 | None | 11 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Cl)c(Cl)c1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084892 | 102967 | 0 | None | 11 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Cl)c(Cl)c1)C2 | 10.1021/jm00020a006 | ||
| 10486393 | 141170 | 0 | None | -13 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202000 | 141170 | 0 | None | -13 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL385625 | 141170 | 0 | None | -13 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 70681307 | 74107 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021479 | 74107 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027890 | 74107 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| 10449632 | 102971 | 0 | None | 56 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 335 | 5 | 0 | 2 | 5.0 | CCc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084898 | 102971 | 0 | None | 56 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 335 | 5 | 0 | 2 | 5.0 | CCc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| 24882532 | 94674 | 0 | None | 5 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255523 | 94674 | 0 | None | 5 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 11039424 | 78506 | 1 | None | -389 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 622 | 14 | 3 | 4 | 5.4 | O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112955 | 78506 | 1 | None | -389 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 622 | 14 | 3 | 4 | 5.4 | O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 302 | 2929 | 23 | None | -20 | 7 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 4630 | 2929 | 23 | None | -20 | 7 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL7634 | 2929 | 23 | None | -20 | 7 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 155520267 | 169876 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4448667 | 169876 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1 | 10.1016/j.bmcl.2018.12.022 | ||
| 10248845 | 122256 | 0 | None | 3 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 3.1 | CCN(CC)CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL360491 | 122256 | 0 | None | 3 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 3.1 | CCN(CC)CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| 10375002 | 23942 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 178 | 2 | 1 | 4 | 0.7 | CCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL133905 | 23942 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 178 | 2 | 1 | 4 | 0.7 | CCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 10352541 | 24243 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 191 | 2 | 0 | 5 | 0.5 | C=Cn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL134177 | 24243 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 191 | 2 | 0 | 5 | 0.5 | C=Cn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 10105296 | 204206 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| CHEMBL84113 | 204206 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| 15065550 | 203407 | 2 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 217 | 2 | 0 | 3 | 0.8 | Cc1nccn1CC#CCN1CCCC1=O | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL77793 | 203407 | 2 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 217 | 2 | 0 | 3 | 0.8 | Cc1nccn1CC#CCN1CCCC1=O | 10.1016/j.bmc.2007.12.036 | ||
| 156009698 | 177761 | 0 | None | -2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4634575 | 177761 | 0 | None | -2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651200 | 177761 | 0 | None | -2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 145960427 | 160903 | 0 | None | 1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4127428 | 160903 | 0 | None | 1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 401892 | 18106 | 1 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.4 | CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL127053 | 18106 | 1 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.4 | CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| 11110853 | 102979 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL3084918 | 102979 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| 303 | 2930 | 16 | None | -19 | 6 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 4629 | 2930 | 16 | None | -19 | 6 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 8595 | 2930 | 16 | None | -19 | 6 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| CHEMBL44674 | 2930 | 16 | None | -19 | 6 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 10465050 | 35958 | 2 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 2.1 | C1=C(c2ccccn2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144493 | 35958 | 2 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 2.1 | C1=C(c2ccccn2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 10244370 | 121011 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 1 | 1 | 4 | 2.2 | OC1(c2nc3ccccc3s2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL358505 | 121011 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 1 | 1 | 4 | 2.2 | OC1(c2nc3ccccc3s2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL306462 | 102492 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 211 | 2 | 1 | 4 | 1.1 | CCO/C(O)=C1\CN2CCCC(C2)C1=O | 10.1021/jm020572p | ||
| 71450996 | 79277 | 0 | None | 3 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 234 | 2 | 0 | 2 | 1.5 | CN1CCCC[C@@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL2115361 | 79277 | 0 | None | 3 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 234 | 2 | 0 | 2 | 1.5 | CN1CCCC[C@@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 122194370 | 123487 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 353 | 6 | 0 | 4 | 3.4 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629530 | 123487 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 353 | 6 | 0 | 4 | 3.4 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 9813501 | 57267 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 239 | 2 | 1 | 3 | 2.7 | CNc1ccnc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL166599 | 57267 | 1 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 239 | 2 | 1 | 3 | 2.7 | CNc1ccnc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| 10501523 | 40280 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1ccccc1CN1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL148310 | 40280 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1ccccc1CN1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1 | 10.1021/jm0003135 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 14956875 | 203070 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 294 | 1 | 0 | 4 | 2.3 | CN1CCC2(CC1)OC(=O)N(c1cccc(Cl)c1)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL74823 | 203070 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 294 | 1 | 0 | 4 | 2.3 | CN1CCC2(CC1)OC(=O)N(c1cccc(Cl)c1)C2=O | 10.1021/jm00068a005 | ||
| 639794 | 98314 | 1 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL278129 | 98314 | 1 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 137640511 | 156524 | 0 | None | -46 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4074104 | 156524 | 0 | None | -46 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44392966 | 65768 | 0 | None | -10 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL183903 | 65768 | 0 | None | -10 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 9926604 | 193194 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL54002 | 193194 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 118719929 | 115283 | 0 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354076 | 115283 | 0 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 44341939 | 109936 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 462 | 9 | 1 | 3 | 5.9 | Fc1ccc(C(OC2CC3CCC(C2)N3CCNCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| CHEMBL324518 | 109936 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 462 | 9 | 1 | 3 | 5.9 | Fc1ccc(C(OC2CC3CCC(C2)N3CCNCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| 2229 | 460 | 17 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | ||
| 295 | 460 | 17 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | ||
| CHEMBL128365 | 460 | 17 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | ||
| 44627856 | 195813 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569953 | 195813 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 44357332 | 26243 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 357 | 5 | 0 | 2 | 4.2 | O=CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| CHEMBL135982 | 26243 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 357 | 5 | 0 | 2 | 4.2 | O=CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| 9883040 | 100071 | 0 | None | -39 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL291339 | 100071 | 0 | None | -39 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL542622 | 100071 | 0 | None | -39 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 2726 | 906 | 64 | None | -19 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| 621 | 906 | 64 | None | -19 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| 83 | 906 | 64 | None | -19 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| CHEMBL71 | 906 | 64 | None | -19 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| DB00477 | 906 | 64 | None | -19 | 72 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| 10499540 | 102999 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 372 | 6 | 1 | 3 | 4.0 | NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| CHEMBL3085021 | 102999 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 372 | 6 | 1 | 3 | 4.0 | NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| 10499540 | 102999 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 372 | 6 | 1 | 3 | 4.0 | NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| CHEMBL3085021 | 102999 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 372 | 6 | 1 | 3 | 4.0 | NCCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| 10066972 | 98299 | 0 | None | -3 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL278074 | 98299 | 0 | None | -3 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm500860w | ||
| 164612852 | 187899 | 0 | None | -9 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852544 | 187899 | 0 | None | -9 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028161 | 187899 | 0 | None | -9 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 24848444 | 162262 | 1 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 369 | 6 | 0 | 2 | 5.3 | C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| CHEMBL417249 | 162262 | 1 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 369 | 6 | 0 | 2 | 5.3 | C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| 44291026 | 77550 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 411 | 6 | 0 | 2 | 6.4 | Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL2094048 | 77550 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 411 | 6 | 0 | 2 | 6.4 | Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL2094103 | 77550 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 411 | 6 | 0 | 2 | 6.4 | Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 | 10.1021/jm030430a | ||
| 12071094 | 13441 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 6 | 0 | 2 | 5.6 | C=CCN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| CHEMBL1193867 | 13441 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 6 | 0 | 2 | 5.6 | C=CCN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| CHEMBL545342 | 13441 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 6 | 0 | 2 | 5.6 | C=CCN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| 12069057 | 13473 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 6 | 0 | 2 | 6.3 | C=CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| CHEMBL1194068 | 13473 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 6 | 0 | 2 | 6.3 | C=CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| CHEMBL545574 | 13473 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 6 | 0 | 2 | 6.3 | C=CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| 46878250 | 200174 | 0 | None | 1 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 273 | 3 | 0 | 3 | 3.2 | CC(=O)O[C@H]1CC2CC(C1)N([C@H](C)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL607175 | 200174 | 0 | None | 1 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 273 | 3 | 0 | 3 | 3.2 | CC(=O)O[C@H]1CC2CC(C1)N([C@H](C)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 71457751 | 83444 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 330 | 10 | 1 | 3 | 4.2 | Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 | 10.1021/jm201348t | ||
| CHEMBL2206335 | 83444 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 330 | 10 | 1 | 3 | 4.2 | Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 | 10.1021/jm201348t | ||
| 162658112 | 180489 | 0 | None | 1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4759774 | 180489 | 0 | None | 1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 24865895 | 95559 | 0 | None | -4 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL259662 | 95559 | 0 | None | -4 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL390842 | 95559 | 0 | None | -4 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 44379080 | 57857 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 678 | 10 | 0 | 5 | 7.5 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)N(C(=O)c3ccc(F)cc3)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL168149 | 57857 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 678 | 10 | 0 | 5 | 7.5 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)N(C(=O)c3ccc(F)cc3)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(97)00109-1 | ||
| 10262914 | 116715 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 220 | 4 | 0 | 4 | 1.8 | CCCCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL339438 | 116715 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 220 | 4 | 0 | 4 | 1.8 | CCCCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 10418420 | 69930 | 0 | None | 40 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 955 | 27 | 0 | 10 | 10.9 | CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL194216 | 69930 | 0 | None | 40 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 955 | 27 | 0 | 10 | 10.9 | CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00113-8 | ||
| 44627742 | 196700 | 0 | None | 2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL576707 | 196700 | 0 | None | 2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 156014820 | 177730 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4646116 | 177730 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650998 | 177730 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 156014820 | 177730 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4646116 | 177730 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4650998 | 177730 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 401884 | 17809 | 2 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 6 | 0 | 2 | 5.3 | CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL126235 | 17809 | 2 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 6 | 0 | 2 | 5.3 | CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| 205895 | 11763 | 2 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL118240 | 11763 | 2 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| 76327897 | 103005 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 368 | 6 | 1 | 2 | 4.8 | C=CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085028 | 103005 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 368 | 6 | 1 | 2 | 4.8 | C=CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| 14964506 | 112817 | 1 | None | 6 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL331556 | 112817 | 1 | None | 6 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 44517702 | 8564 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 320 | 2 | 0 | 3 | 2.4 | CN1CCC=C(C2CN(C(=O)c3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| CHEMBL1095288 | 8564 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 320 | 2 | 0 | 3 | 2.4 | CN1CCC=C(C2CN(C(=O)c3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| 6401141 | 13202 | 7 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 304 | 2 | 0 | 4 | 3.0 | CN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 | 10.1021/jm9705418 | ||
| CHEMBL1191986 | 13202 | 7 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 304 | 2 | 0 | 4 | 3.0 | CN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 | 10.1021/jm9705418 | ||
| CHEMBL543160 | 13202 | 7 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 304 | 2 | 0 | 4 | 3.0 | CN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 | 10.1021/jm9705418 | ||
| 137630127 | 160502 | 0 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 210 | 4 | 1 | 2 | 1.4 | COc1cccc(C(O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4084607 | 160502 | 0 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 210 | 4 | 1 | 2 | 1.4 | COc1cccc(C(O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116537 | 160502 | 0 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 210 | 4 | 1 | 2 | 1.4 | COc1cccc(C(O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 15678859 | 102302 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 436 | 8 | 2 | 6 | 2.4 | NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL305197 | 102302 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 436 | 8 | 2 | 6 | 2.4 | NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 11498 | 2970 | 33 | None | -154 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| 4995951 | 2970 | 33 | None | -154 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| CHEMBL59898 | 2970 | 33 | None | -154 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| 10203251 | 5153 | 0 | None | -660 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | ||
| CHEMBL106224 | 5153 | 0 | None | -660 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | ||
| 11015312 | 5202 | 0 | None | -19 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.9 | CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106505 | 5202 | 0 | None | -19 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.9 | CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11048067 | 5504 | 0 | None | -12 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.6 | CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL107679 | 5504 | 0 | None | -12 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.6 | CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11079969 | 163305 | 0 | None | -87 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 4.3 | C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL420662 | 163305 | 0 | None | -87 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 4.3 | C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 10160073 | 110701 | 0 | None | -13182 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | ||
| CHEMBL326450 | 110701 | 0 | None | -13182 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | ||
| 10160073 | 110701 | 0 | None | -13182 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL326450 | 110701 | 0 | None | -13182 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 18756317 | 82808 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| CHEMBL21859 | 82808 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| 44323347 | 104261 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm0300375 | ||
| CHEMBL310650 | 104261 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm0300375 | ||
| 44323347 | 104261 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| CHEMBL310650 | 104261 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| 631644 | 202378 | 1 | None | -2 | 3 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 551 | 8 | 3 | 8 | 2.0 | CC(C)(C)OC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL70133 | 202378 | 1 | None | -2 | 3 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 551 | 8 | 3 | 8 | 2.0 | CC(C)(C)OC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 11113546 | 102985 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 476 | 9 | 1 | 3 | 6.7 | Nc1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm990265s | ||
| CHEMBL3084929 | 102985 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 476 | 9 | 1 | 3 | 6.7 | Nc1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm990265s | ||
| 44448417 | 11804 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182629 | 11804 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL256923 | 11804 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 71718588 | 86134 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315675 | 86134 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 10020614 | 203059 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 347 | 10 | 0 | 4 | 3.8 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL74736 | 203059 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 347 | 10 | 0 | 4 | 3.8 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCCC1 | 10.1021/jm00041a006 | ||
| 44396263 | 10198 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1082 | 22 | 4 | 14 | 6.6 | CCN1/C(=C/C=C/C2N(CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc54)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm040800a | ||
| CHEMBL1161713 | 10198 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1082 | 22 | 4 | 14 | 6.6 | CCN1/C(=C/C=C/C2N(CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc54)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm040800a | ||
| 71718588 | 86134 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315675 | 86134 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 10352041 | 20173 | 1 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 165 | 1 | 1 | 5 | -0.4 | Cn1nnc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL130625 | 20173 | 1 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 165 | 1 | 1 | 5 | -0.4 | Cn1nnc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 44267819 | 15588 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 447 | 8 | 0 | 2 | 6.7 | Fc1ccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| CHEMBL12227 | 15588 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 447 | 8 | 0 | 2 | 6.7 | Fc1ccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| 24810003 | 168569 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 6 | 0 | 2 | 5.5 | Fc1ccc(C(OC2CC3CCC(C2)N3CC2CC2)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| CHEMBL440272 | 168569 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 6 | 0 | 2 | 5.5 | Fc1ccc(C(OC2CC3CCC(C2)N3CC2CC2)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| 44383065 | 119874 | 0 | None | -5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 5.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCNC34CC5CC(CC(C5)C3)C4)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL353311 | 119874 | 0 | None | -5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 5.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCNC34CC5CC(CC(C5)C3)C4)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 71454562 | 79244 | 0 | None | -19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2115126 | 79244 | 0 | None | -19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 44318825 | 204407 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 349 | 5 | 1 | 4 | 3.5 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCC1CCCCC1 | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL85952 | 204407 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 349 | 5 | 1 | 4 | 3.5 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCC1CCCCC1 | 10.1016/0960-894X(96)00471-4 | ||
| 44383490 | 164768 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 3.5 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC(C)N1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL423438 | 164768 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 3.5 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC(C)N1 | 10.1016/s0960-894x(99)00101-8 | ||
| 441383 | 20133 | 54 | None | -4 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 20133 | 54 | None | -4 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 10822690 | 11037 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 0.9 | CCCC#Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL1178328 | 11037 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 0.9 | CCCC#Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL21284 | 11037 | 0 | None | - | 1 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 0.9 | CCCC#Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| 16045714 | 161209 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 4.7 | COC(=O)/C=C/[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| CHEMBL413927 | 161209 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 4.7 | COC(=O)/C=C/[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| 24894637 | 188133 | 0 | None | -5 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL504733 | 188133 | 0 | None | -5 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL553434 | 188133 | 0 | None | -5 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 71575122 | 85786 | 0 | None | -6 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312376 | 85786 | 0 | None | -6 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 15050948 | 102344 | 0 | None | -1 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 513 | 7 | 3 | 7 | 1.8 | NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| CHEMBL305403 | 102344 | 0 | None | -1 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 513 | 7 | 3 | 7 | 1.8 | NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| 44337748 | 9305 | 0 | None | -1 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| CHEMBL111529 | 9305 | 0 | None | -1 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| 44299323 | 100228 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1O[C@@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL292408 | 100228 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1O[C@@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 10919522 | 78508 | 0 | None | -56 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 688 | 11 | 1 | 4 | 6.8 | O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm010480k | ||
| CHEMBL2112957 | 78508 | 0 | None | -56 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 688 | 11 | 1 | 4 | 6.8 | O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm010480k | ||
| 10607458 | 13082 | 1 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 180 | 2 | 1 | 4 | -0.2 | CC#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1191028 | 13082 | 1 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 180 | 2 | 1 | 4 | -0.2 | CC#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL542064 | 13082 | 1 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 180 | 2 | 1 | 4 | -0.2 | CC#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 44309208 | 165097 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 338 | 3 | 2 | 3 | 2.1 | O=C(N1CCCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL424416 | 165097 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 338 | 3 | 2 | 3 | 2.1 | O=C(N1CCCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| 11006286 | 31712 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 10 | 0 | 10 | 4.9 | CN1CCC=C(c2nsnc2SCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL140746 | 31712 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 10 | 0 | 10 | 4.9 | CN1CCC=C(c2nsnc2SCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 2230 | 461 | 55 | None | -89 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 296 | 461 | 55 | None | -89 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| CHEMBL7303 | 461 | 55 | None | -89 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| DB04365 | 461 | 55 | None | -89 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 10670961 | 40391 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1 | 10.1021/jm0003135 | ||
| CHEMBL148404 | 40391 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1 | 10.1021/jm0003135 | ||
| 44593618 | 186876 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493979 | 186876 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10557581 | 21574 | 0 | None | -2 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202001 | 21574 | 0 | None | -2 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL131913 | 21574 | 0 | None | -2 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 15086396 | 13181 | 0 | None | 29 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 8 | 0 | 7 | 2.4 | CCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1191773 | 13181 | 0 | None | 29 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 8 | 0 | 7 | 2.4 | CCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL542915 | 13181 | 0 | None | 29 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 8 | 0 | 7 | 2.4 | CCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 44312024 | 202855 | 0 | None | -36 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 7 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72957 | 202855 | 0 | None | -36 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 7 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 10771937 | 21493 | 0 | None | -26 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL1202004 | 21493 | 0 | None | -26 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL131846 | 21493 | 0 | None | -26 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| 44309135 | 96120 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 7 | 2 | 3 | 3.7 | NCCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL263040 | 96120 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 7 | 2 | 3 | 3.7 | NCCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44309090 | 202054 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 366 | 6 | 3 | 3 | 2.8 | O=C(NCCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL67873 | 202054 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 366 | 6 | 3 | 3 | 2.8 | O=C(NCCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44308831 | 202690 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 380 | 6 | 2 | 3 | 3.2 | CNCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL71933 | 202690 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 380 | 6 | 2 | 3 | 3.2 | CNCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 9889312 | 78021 | 0 | None | -21 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | -21 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44431388 | 86891 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 348 | 6 | 1 | 5 | 2.8 | CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233202 | 86891 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 348 | 6 | 1 | 5 | 2.8 | CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 71575225 | 85792 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312384 | 85792 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1 | 10.1021/jm301774u | ||
| 9990094 | 22693 | 1 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 190 | 2 | 1 | 4 | 0.4 | C#CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL132894 | 22693 | 1 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 190 | 2 | 1 | 4 | 0.4 | C#CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 10465620 | 116122 | 3 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 207 | 3 | 0 | 5 | 0.8 | CCN1CCC=C(c2nnn(CC)n2)C1 | 10.1021/jm00050a006 | ||
| CHEMBL336834 | 116122 | 3 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 207 | 3 | 0 | 5 | 0.8 | CCN1CCC=C(c2nnn(CC)n2)C1 | 10.1021/jm00050a006 | ||
| 10622718 | 38166 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 4.5 | O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL146359 | 38166 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 4.5 | O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 10619926 | 39563 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 6 | 2 | 4 | 3.4 | O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL147672 | 39563 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 6 | 2 | 4 | 3.4 | O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 11580426 | 7862 | 3 | None | -117 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | CC(c1ccccn1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| CHEMBL1090432 | 7862 | 3 | None | -117 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | CC(c1ccccn1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| 10421585 | 19818 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 235 | 5 | 0 | 5 | 1.6 | CCCCN1CCC=C(c2nnn(CC)n2)C1 | 10.1021/jm00050a006 | ||
| CHEMBL130342 | 19818 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 235 | 5 | 0 | 5 | 1.6 | CCCCN1CCC=C(c2nnn(CC)n2)C1 | 10.1021/jm00050a006 | ||
| 137628850 | 160422 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1CC[N+](C)(C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4097248 | 160422 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1CC[N+](C)(C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115965 | 160422 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1CC[N+](C)(C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| 44576423 | 172885 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 3 | 0 | 4 | 1.6 | Cc1ccc(S(=O)(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL452955 | 172885 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 3 | 0 | 4 | 1.6 | Cc1ccc(S(=O)(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2008.03.019 | ||
| 11184481 | 199743 | 12 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 1 | 0 | 5 | 1.8 | Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1 | 10.1021/jm9015075 | ||
| CHEMBL604798 | 199743 | 12 | None | -4 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 1 | 0 | 5 | 1.8 | Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1 | 10.1021/jm9015075 | ||
| 164613685 | 187905 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4861655 | 187905 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028207 | 187905 | 0 | None | -7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156016047 | 177685 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4647816 | 177685 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650722 | 177685 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44450621 | 95388 | 0 | None | -3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL258906 | 95388 | 0 | None | -3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 162353391 | 180239 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756873 | 180239 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | ||
| 162353388 | 180397 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758633 | 180397 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | ||
| 162353384 | 180508 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760037 | 180508 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| 71458016 | 78291 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL2112509 | 78291 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| 4011 | 81996 | 43 | None | -17 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81996 | 43 | None | -17 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 76335147 | 105882 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 459 | 8 | 0 | 2 | 8.0 | CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3084608 | 105882 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 459 | 8 | 0 | 2 | 8.0 | CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3139225 | 105882 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 459 | 8 | 0 | 2 | 8.0 | CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| 44593617 | 186848 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493795 | 186848 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 12066268 | 67392 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 461 | 8 | 0 | 2 | 7.3 | CC[C@@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm990265s | ||
| CHEMBL1907825 | 67392 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 461 | 8 | 0 | 2 | 7.3 | CC[C@@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm990265s | ||
| 44318803 | 106445 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 351 | 9 | 1 | 4 | 3.9 | CCCCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL314796 | 106445 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 351 | 9 | 1 | 4 | 3.9 | CCCCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 164608958 | 187876 | 0 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846447 | 187876 | 0 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027936 | 187876 | 0 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162353390 | 180367 | 0 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758316 | 180367 | 0 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 44578707 | 181559 | 0 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL478227 | 181559 | 0 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| 7141656 | 176263 | 6 | None | -4 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| CHEMBL461089 | 176263 | 6 | None | -4 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| 155521639 | 170127 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 8 | 0 | 5 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4451822 | 170127 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 8 | 0 | 5 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 10091077 | 12802 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 378 | 6 | 0 | 4 | 3.9 | O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL1189053 | 12802 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 378 | 6 | 0 | 4 | 3.9 | O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL537989 | 12802 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 378 | 6 | 0 | 4 | 3.9 | O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| 10043954 | 81866 | 0 | None | -4 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21716 | 81866 | 0 | None | -4 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 137644962 | 157947 | 0 | None | -74 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4091058 | 157947 | 0 | None | -74 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 9998829 | 102944 | 0 | None | -2 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 363 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084866 | 102944 | 0 | None | -2 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 363 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 | 10.1021/jm00020a006 | ||
| 15196232 | 164819 | 3 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.0 | OC1(c2cccnc2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL423746 | 164819 | 3 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.0 | OC1(c2cccnc2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 11718570 | 71858 | 0 | None | 8 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 376 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1Cc1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL198065 | 71858 | 0 | None | 8 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 376 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1Cc1ccccc1 | 10.1021/jm050099q | ||
| 138710714 | 176512 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 4 | 2 | 3 | 4.8 | O=C(Nc1ccc(F)cc1-c1ccc(Br)cc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4633165 | 176512 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 4 | 2 | 3 | 4.8 | O=C(Nc1ccc(F)cc1-c1ccc(Br)cc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm401895u | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm401895u | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm401895u | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm401895u | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm401895u | ||
| 11820311 | 20241 | 4 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 206 | 3 | 0 | 4 | 1.4 | CCCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL130693 | 20241 | 4 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 206 | 3 | 0 | 4 | 1.4 | CCCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 10836338 | 39096 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 6 | 2 | 4 | 3.5 | O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147105 | 39096 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 6 | 2 | 4 | 3.5 | O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| 71128 | 96362 | 18 | None | -10 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL26505 | 96362 | 18 | None | -10 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 156015254 | 177712 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4649420 | 177712 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650938 | 177712 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 156015971 | 177707 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648444 | 177707 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650880 | 177707 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44457719 | 13144 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 180 | 3 | 1 | 4 | -0.2 | C#CCCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1191455 | 13144 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 180 | 3 | 1 | 4 | -0.2 | C#CCCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL542559 | 13144 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 180 | 3 | 1 | 4 | -0.2 | C#CCCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 15678852 | 101747 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 492 | 12 | 2 | 6 | 4.0 | NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL302923 | 101747 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 492 | 12 | 2 | 6 | 4.0 | NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 44593623 | 187297 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496503 | 187297 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539373 | 187297 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 14939895 | 81707 | 0 | None | -3 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201997 | 81707 | 0 | None | -3 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL216629 | 81707 | 0 | None | -3 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 11061341 | 78509 | 0 | None | -323 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 662 | 13 | 2 | 4 | 6.3 | O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112958 | 78509 | 0 | None | -323 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 662 | 13 | 2 | 4 | 6.3 | O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 11006792 | 78512 | 0 | None | -69 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 648 | 12 | 2 | 4 | 5.9 | O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112961 | 78512 | 0 | None | -69 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 648 | 12 | 2 | 4 | 5.9 | O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 9921303 | 57519 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 253 | 2 | 0 | 3 | 2.7 | CN(C)c1ccnc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL167004 | 57519 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 253 | 2 | 0 | 3 | 2.7 | CN(C)c1ccnc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| 11819545 | 37173 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 175 | 1 | 0 | 2 | 2.3 | C1=C(c2ccoc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL145488 | 37173 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 175 | 1 | 0 | 2 | 2.3 | C1=C(c2ccoc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 46889258 | 7460 | 0 | None | -316 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 6 | 0 | 5 | 2.2 | CCOCCn1c(N2CC[C@H](N(C)C)C2)nc2ccccc21 | 10.1016/j.bmcl.2010.03.027 | ||
| CHEMBL1087493 | 7460 | 0 | None | -316 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 6 | 0 | 5 | 2.2 | CCOCCn1c(N2CC[C@H](N(C)C)C2)nc2ccccc21 | 10.1016/j.bmcl.2010.03.027 | ||
| 14956861 | 13526 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 0 | 0 | 4 | 1.2 | CN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL1194441 | 13526 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 0 | 0 | 4 | 1.2 | CN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL552656 | 13526 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 0 | 0 | 4 | 1.2 | CN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O | 10.1021/jm00068a005 | ||
| 9308 | 17572 | 16 | None | -4 | 7 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00088a029 | ||
| CHEMBL1255785 | 17572 | 16 | None | -4 | 7 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00088a029 | ||
| CHEMBL12587 | 17572 | 16 | None | -4 | 7 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00088a029 | ||
| CHEMBL292911 | 17572 | 16 | None | -4 | 7 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00088a029 | ||
| 46884639 | 7644 | 0 | None | -6918 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 309 | 6 | 0 | 4 | 3.0 | COc1nccnc1CC1=C(CCN(C)C)Cc2ccccc21 | 10.1016/j.bmcl.2010.02.055 | ||
| CHEMBL1088900 | 7644 | 0 | None | -6918 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 309 | 6 | 0 | 4 | 3.0 | COc1nccnc1CC1=C(CCN(C)C)Cc2ccccc21 | 10.1016/j.bmcl.2010.02.055 | ||
| 14964508 | 14641 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@H]1CC(=O)N(CC#CCN(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL120706 | 14641 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@H]1CC(=O)N(CC#CCN(C)C)C1 | 10.1021/jm00075a007 | ||
| 44285557 | 99690 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.7 | C[C@H]1CCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL287834 | 99690 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.7 | C[C@H]1CCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 155552185 | 173489 | 0 | None | -27542 | 16 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| CHEMBL4544086 | 173489 | 0 | None | -27542 | 16 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 138710938 | 176679 | 0 | None | -7 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 3.9 | N#Cc1ccc(-c2cc(F)ccc2NC(=O)OCC2CCNCC2)cc1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4636009 | 176679 | 0 | None | -7 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 3.9 | N#Cc1ccc(-c2cc(F)ccc2NC(=O)OCC2CCNCC2)cc1 | 10.1021/acs.jmedchem.0c00297 | ||
| 44577945 | 188874 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.5 | CN1CCC=C(C2CN(C(=S)Nc3ccccc3F)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL513665 | 188874 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.5 | CN1CCC=C(C2CN(C(=S)Nc3ccccc3F)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 15086393 | 13180 | 0 | None | 3 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1191772 | 13180 | 0 | None | 3 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL542914 | 13180 | 0 | None | 3 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 11759212 | 57586 | 0 | None | -186 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL167223 | 57586 | 0 | None | -186 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44299616 | 194035 | 0 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL55698 | 194035 | 0 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 10949838 | 5150 | 0 | None | -501 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.4 | CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106218 | 5150 | 0 | None | -501 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.4 | CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 44318528 | 203950 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 281 | 1 | 1 | 4 | 1.8 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)C(C)(C)C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL82012 | 203950 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 281 | 1 | 1 | 4 | 1.8 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)C(C)(C)C | 10.1016/0960-894X(96)00471-4 | ||
| 44384327 | 59477 | 0 | None | -10 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.2 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(O)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL172646 | 59477 | 0 | None | -10 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.2 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(O)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 76331541 | 103004 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 328 | 4 | 2 | 2 | 3.9 | Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085027 | 103004 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 328 | 4 | 2 | 2 | 3.9 | Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2005.08.111 | ||
| 164622170 | 187975 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 846 | 20 | 9 | 12 | -0.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4863723 | 187975 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 846 | 20 | 9 | 12 | -0.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028687 | 187975 | 0 | None | -7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 846 | 20 | 9 | 12 | -0.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155554262 | 175981 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582069 | 175981 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597244 | 175981 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44593619 | 186877 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493980 | 186877 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44593627 | 192696 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524071 | 192696 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL541671 | 192696 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44267764 | 10944 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 437 | 6 | 0 | 2 | 6.4 | Fc1ccc(CN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm990265s | ||
| CHEMBL11768 | 10944 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 437 | 6 | 0 | 2 | 6.4 | Fc1ccc(CN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm990265s | ||
| 11012712 | 57524 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL167027 | 57524 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| 10066369 | 119752 | 0 | None | -22 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL352375 | 119752 | 0 | None | -22 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 3652 | 45983 | 62 | None | -2 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL1535 | 45983 | 62 | None | -2 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
| 57326140 | 76826 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042400 | 76826 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078962 | 76826 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| 44290807 | 12885 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 447 | 6 | 0 | 2 | 6.6 | Cc1ccc(C2CC3CCC([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL1189664 | 12885 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 447 | 6 | 0 | 2 | 6.6 | Cc1ccc(C2CC3CCC([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL539254 | 12885 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 447 | 6 | 0 | 2 | 6.6 | Cc1ccc(C2CC3CCC([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| 10042207 | 10959 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 4 | 1 | 2 | 4.4 | Fc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| CHEMBL11776 | 10959 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 329 | 4 | 1 | 2 | 4.4 | Fc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| 10354969 | 13461 | 15 | None | 4 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2ccc(-c3ccccc3)nn2)CC1 | 10.1021/jm9705418 | ||
| CHEMBL1194009 | 13461 | 15 | None | 4 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2ccc(-c3ccccc3)nn2)CC1 | 10.1021/jm9705418 | ||
| CHEMBL545506 | 13461 | 15 | None | 4 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2ccc(-c3ccccc3)nn2)CC1 | 10.1021/jm9705418 | ||
| 44392898 | 122572 | 0 | None | -7 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 361 | 2 | 1 | 4 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C(O)=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL360988 | 122572 | 0 | None | -7 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 361 | 2 | 1 | 4 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C(O)=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| 11011757 | 58911 | 0 | None | 1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | ||
| CHEMBL170221 | 58911 | 0 | None | 1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 25025581 | 200311 | 0 | None | -2 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | ||
| CHEMBL608151 | 200311 | 0 | None | -2 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | ||
| 44342206 | 10040 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 486 | 10 | 0 | 5 | 4.4 | Fc1ccc(C(OC2CC3CCC(C2)N3CCOCCN2CCOCC2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| CHEMBL115710 | 10040 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 486 | 10 | 0 | 5 | 4.4 | Fc1ccc(C(OC2CC3CCC(C2)N3CCOCCN2CCOCC2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| 10880435 | 58750 | 0 | None | -6 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169494 | 58750 | 0 | None | -6 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 250 | 3334 | 5 | None | -44668 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | ||
| 5311416 | 3334 | 5 | None | -44668 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | ||
| CHEMBL69733 | 3334 | 5 | None | -44668 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | ||
| 57326239 | 76829 | 0 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042551 | 76829 | 0 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078974 | 76829 | 0 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 44386987 | 61447 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 322 | 2 | 0 | 3 | 1.7 | O=C1CC2(CCc3ccccc32)C(=O)N1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL177259 | 61447 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 322 | 2 | 0 | 3 | 1.7 | O=C1CC2(CCc3ccccc32)C(=O)N1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00143-1 | ||
| 199230 | 162585 | 18 | None | -37 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL41779 | 162585 | 18 | None | -37 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.ejmech.2014.12.045 | ||
| 164613559 | 187902 | 0 | None | -51 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4856659 | 187902 | 0 | None | -51 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028196 | 187902 | 0 | None | -51 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 57326233 | 76833 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042406 | 76833 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079010 | 76833 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 10275847 | 202301 | 0 | None | -12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 6 | 0 | 5 | 5.2 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL69595 | 202301 | 0 | None | -12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 6 | 0 | 5 | 5.2 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 1353 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2008.06.030 | ||
| 3559 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2008.06.030 | ||
| 86 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2008.06.030 | ||
| CHEMBL54 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2008.06.030 | ||
| DB00502 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2008.06.030 | ||
| 155672 | 4968 | 5 | None | -17 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL105198 | 4968 | 5 | None | -17 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL56734 | 4968 | 5 | None | -17 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| 1353 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2011.12.019 | ||
| 3559 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2011.12.019 | ||
| 86 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2011.12.019 | ||
| CHEMBL54 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2011.12.019 | ||
| DB00502 | 1880 | 85 | None | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1016/j.bmc.2011.12.019 | ||
| 44318725 | 98368 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 281 | 3 | 0 | 4 | 1.9 | CCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL278681 | 98368 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 281 | 3 | 0 | 4 | 1.9 | CCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 137630043 | 160490 | 0 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 206 | 4 | 0 | 1 | 2.4 | COc1cccc(/C=C/C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4099667 | 160490 | 0 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 206 | 4 | 0 | 1 | 2.4 | COc1cccc(/C=C/C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116455 | 160490 | 0 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 206 | 4 | 0 | 1 | 2.4 | COc1cccc(/C=C/C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 14956866 | 13126 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 198 | 0 | 0 | 4 | 0.1 | CN1CCC2(CC1)OC(=O)N(C)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL1191326 | 13126 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 198 | 0 | 0 | 4 | 0.1 | CN1CCC2(CC1)OC(=O)N(C)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL542404 | 13126 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 198 | 0 | 0 | 4 | 0.1 | CN1CCC2(CC1)OC(=O)N(C)C2=O | 10.1021/jm00068a005 | ||
| 145963288 | 161067 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4129723 | 161067 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 44386497 | 62278 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 400 | 4 | 0 | 3 | 3.8 | CC(C)N(CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc12)C(C)C | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL178323 | 62278 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 400 | 4 | 0 | 3 | 3.8 | CC(C)N(CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc12)C(C)C | 10.1016/S0960-894X(97)00143-1 | ||
| 11833737 | 119833 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| CHEMBL352966 | 119833 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 44275807 | 98513 | 0 | None | -1479 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
| CHEMBL27979 | 98513 | 0 | None | -1479 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
| 10870954 | 119804 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL352779 | 119804 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 6726 | 1254 | 46 | None | -6 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1254 | 46 | None | -6 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1254 | 46 | None | -6 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1254 | 46 | None | -6 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1254 | 46 | None | -6 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 16044976 | 79921 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 5 | 0 | 2 | 5.1 | C=C[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| CHEMBL214234 | 79921 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 5 | 0 | 2 | 5.1 | C=C[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| 44386983 | 60530 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 3 | 3.1 | CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc12 | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL176228 | 60530 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 3 | 3.1 | CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc12 | 10.1016/S0960-894X(97)00143-1 | ||
| 44291182 | 12821 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 467 | 6 | 0 | 2 | 7.0 | CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL1189176 | 12821 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 467 | 6 | 0 | 2 | 7.0 | CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL538234 | 12821 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 467 | 6 | 0 | 2 | 7.0 | CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| 197842 | 102128 | 3 | None | 8 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 8 | 0 | 2 | 3.8 | CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377385 | 102128 | 3 | None | 8 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 8 | 0 | 2 | 3.8 | CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL3041160 | 102128 | 3 | None | 8 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 8 | 0 | 2 | 3.8 | CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 2812 | 4711 | 96 | None | -20 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4711 | 96 | None | -20 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 44326538 | 13155 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 9 | 0 | 3 | 4.3 | CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL1191560 | 13155 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 9 | 0 | 3 | 4.3 | CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 15050940 | 102354 | 0 | None | -1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 1.6 | C#CCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL305501 | 102354 | 0 | None | -1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 1.6 | C#CCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 107782 | 14330 | 16 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| 67151996 | 14330 | 16 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| CHEMBL1201207 | 14330 | 16 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| 15050949 | 202278 | 0 | None | -1 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 641 | 10 | 3 | 8 | 4.2 | CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| CHEMBL69458 | 202278 | 0 | None | -1 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 641 | 10 | 3 | 8 | 4.2 | CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| 15105209 | 103144 | 1 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 11 | 1 | 3 | 3.4 | CCN(CC)CCOCCNCC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL308707 | 103144 | 1 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 318 | 11 | 1 | 3 | 3.4 | CCN(CC)CCOCCNCC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| 145961152 | 161043 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4129382 | 161043 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 11734822 | 116135 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 550 | 14 | 0 | 10 | 6.4 | CN1CCC=C(c2nsnc2SCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL336933 | 116135 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 550 | 14 | 0 | 10 | 6.4 | CN1CCC=C(c2nsnc2SCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 302 | 2929 | 23 | None | 3 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 4630 | 2929 | 23 | None | 3 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| CHEMBL7634 | 2929 | 23 | None | 3 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 10647553 | 39480 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 458 | 7 | 3 | 4 | 3.6 | O=C(NC1CCN(Cc2cccc(CO)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147554 | 39480 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 458 | 7 | 3 | 4 | 3.6 | O=C(NC1CCN(Cc2cccc(CO)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 10822690 | 11037 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 0.9 | CCCC#Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL1178328 | 11037 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 0.9 | CCCC#Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL21284 | 11037 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 218 | 2 | 1 | 5 | 0.9 | CCCC#Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| 76320688 | 103009 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 442 | 4 | 1 | 2 | 6.6 | CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085032 | 103009 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 442 | 4 | 1 | 2 | 6.6 | CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| 10885253 | 102980 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 10 | 0 | 2 | 7.3 | Fc1ccc(C(OCC[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm0101592 | ||
| CHEMBL3084919 | 102980 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 10 | 0 | 2 | 7.3 | Fc1ccc(C(OCC[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm0101592 | ||
| 9991979 | 118653 | 1 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 1 | 0 | 3 | 3.4 | C1=C(c2nc3ccccc3s2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL342958 | 118653 | 1 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 1 | 0 | 3 | 3.4 | C1=C(c2nc3ccccc3s2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 16086059 | 80363 | 0 | None | -758 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm301774u | ||
| CHEMBL215180 | 80363 | 0 | None | -758 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm301774u | ||
| 10408160 | 12939 | 0 | None | 3 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 7 | 0 | 3 | 5.3 | O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL1190020 | 12939 | 0 | None | 3 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 7 | 0 | 3 | 5.3 | O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL540013 | 12939 | 0 | None | 3 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 391 | 7 | 0 | 3 | 5.3 | O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| 10474751 | 13349 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 6 | 0 | 3 | 4.9 | O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL1193154 | 13349 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 6 | 0 | 3 | 4.9 | O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL544516 | 13349 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 6 | 0 | 3 | 4.9 | O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| 137630995 | 160594 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 208 | 4 | 0 | 2 | 1.6 | COc1cccc(C(=O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4102555 | 160594 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 208 | 4 | 0 | 2 | 1.6 | COc1cccc(C(=O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117268 | 160594 | 0 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 208 | 4 | 0 | 2 | 1.6 | COc1cccc(C(=O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 155511167 | 168991 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 6 | 0 | 3 | 5.7 | O=C(OCCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4435641 | 168991 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 6 | 0 | 3 | 5.7 | O=C(OCCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 10595006 | 11340 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180343 | 11340 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL123099 | 11340 | 0 | None | 2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 10104047 | 21437 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL131777 | 21437 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 9990094 | 22693 | 1 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 190 | 2 | 1 | 4 | 0.4 | C#CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL132894 | 22693 | 1 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 190 | 2 | 1 | 4 | 0.4 | C#CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 16086059 | 80363 | 0 | None | -758 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL215180 | 80363 | 0 | None | -758 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 10671167 | 120985 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 448 | 6 | 2 | 3 | 4.9 | O=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL358289 | 120985 | 0 | None | -6 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 448 | 6 | 2 | 3 | 4.9 | O=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 15050955 | 102125 | 0 | None | -1 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 538 | 7 | 1 | 7 | 3.0 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL304112 | 102125 | 0 | None | -1 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 538 | 7 | 1 | 7 | 3.0 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 44351336 | 161412 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 346 | 4 | 1 | 2 | 4.1 | CN1C2CCC1CC(=CC(=O)NC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL415721 | 161412 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 346 | 4 | 1 | 2 | 4.1 | CN1C2CCC1CC(=CC(=O)NC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| 15196354 | 118765 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 244 | 1 | 0 | 1 | 2.5 | C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2 | 10.1021/jm00003a011 | ||
| CHEMBL343697 | 118765 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 244 | 1 | 0 | 1 | 2.5 | C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2 | 10.1021/jm00003a011 | ||
| 10058412 | 24031 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 192 | 2 | 0 | 4 | 1.0 | CCn1nncc1C1=CCCN(C)C1 | 10.1021/jm00050a006 | ||
| CHEMBL133986 | 24031 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 192 | 2 | 0 | 4 | 1.0 | CCn1nncc1C1=CCCN(C)C1 | 10.1021/jm00050a006 | ||
| 46884640 | 7831 | 0 | None | -2187 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 279 | 5 | 0 | 3 | 3.0 | CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1 | 10.1016/j.bmcl.2010.02.055 | ||
| CHEMBL1090197 | 7831 | 0 | None | -2187 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 279 | 5 | 0 | 3 | 3.0 | CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1 | 10.1016/j.bmcl.2010.02.055 | ||
| 4199 | 98389 | 36 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1021/jm030480f | ||
| CHEMBL278819 | 98389 | 36 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | 10.1021/jm030480f | ||
| 137629919 | 160462 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CCC(C[N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4095626 | 160462 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CCC(C[N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116258 | 160462 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CCC(C[N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| 137630084 | 160498 | 0 | None | -2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1C[N+](C)(C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4070055 | 160498 | 0 | None | -2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1C[N+](C)(C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116507 | 160498 | 0 | None | -2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1C[N+](C)(C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 44417408 | 80158 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 401 | 6 | 1 | 4 | 4.1 | CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 | 10.1021/jm060762q | ||
| CHEMBL214923 | 80158 | 0 | None | - | 1 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 401 | 6 | 1 | 4 | 4.1 | CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 | 10.1021/jm060762q | ||
| 71575024 | 85793 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2OC)C1 | 10.1021/jm301774u | ||
| CHEMBL2312386 | 85793 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2OC)C1 | 10.1021/jm301774u | ||
| 9968046 | 196486 | 0 | None | -10 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL57485 | 196486 | 0 | None | -10 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 164621085 | 187964 | 0 | None | -16 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 830 | 17 | 8 | 11 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4869980 | 187964 | 0 | None | -16 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 830 | 17 | 8 | 11 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028630 | 187964 | 0 | None | -16 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 830 | 17 | 8 | 11 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 289 | 240 | 6 | None | -91 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 9948320 | 240 | 6 | None | -91 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| CHEMBL1242950 | 240 | 6 | None | -91 | 14 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 162353375 | 179315 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4745885 | 179315 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 44448496 | 11807 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182637 | 11807 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257547 | 11807 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 71452790 | 79240 | 0 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)O[C@H]1CC2CC1CN2C | 10.1021/jm00090a006 | ||
| CHEMBL2115122 | 79240 | 0 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)O[C@H]1CC2CC1CN2C | 10.1021/jm00090a006 | ||
| 275176 | 89383 | 1 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377388 | 89383 | 1 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C | 10.1016/j.bmc.2013.01.072 | ||
| 24848444 | 162262 | 1 | None | -1 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 6 | 0 | 2 | 5.3 | C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| CHEMBL417249 | 162262 | 1 | None | -1 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 369 | 6 | 0 | 2 | 5.3 | C=CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| 44392974 | 64209 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 343 | 2 | 0 | 3 | 4.5 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL181447 | 64209 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 343 | 2 | 0 | 3 | 4.5 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 155543345 | 176112 | 0 | None | -19 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4543584 | 176112 | 0 | None | -19 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4598362 | 176112 | 0 | None | -19 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 11143997 | 4953 | 0 | None | -251 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105122 | 4953 | 0 | None | -251 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 162667844 | 181951 | 0 | None | 1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4787283 | 181951 | 0 | None | 1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44382841 | 59090 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.8 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCSCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL170977 | 59090 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.8 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCSCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 107867 | 2927 | 48 | None | -5 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1016/0960-894X(96)00107-2 | ||
| 309 | 2927 | 48 | None | -5 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1016/0960-894X(96)00107-2 | ||
| CHEMBL17045 | 2927 | 48 | None | -5 | 10 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1016/0960-894X(96)00107-2 | ||
| 12066264 | 14297 | 0 | None | -15 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 6 | 0 | 2 | 7.4 | Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cccc3ccccc23)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL12004 | 14297 | 0 | None | -15 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 6 | 0 | 2 | 7.4 | Fc1ccc(C(OC2CC3CCC(C2)N3Cc2cccc3ccccc23)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| 3158 | 55974 | 21 | None | -123 | 20 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55974 | 21 | None | -123 | 20 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 16721019 | 87558 | 0 | None | -9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 7 | 2 | 5 | 2.5 | CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234258 | 87558 | 0 | None | -9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 7 | 2 | 5 | 2.5 | CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 44431382 | 87593 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 332 | 6 | 1 | 4 | 3.3 | CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234438 | 87593 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 332 | 6 | 1 | 4 | 3.3 | CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 15050957 | 201900 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 566 | 9 | 1 | 7 | 3.8 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL66914 | 201900 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 566 | 9 | 1 | 7 | 3.8 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 76331542 | 103010 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 356 | 4 | 0 | 2 | 4.6 | CN(C(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085033 | 103010 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 356 | 4 | 0 | 2 | 4.6 | CN(C(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2005.08.111 | ||
| 9889312 | 78021 | 0 | None | -21 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | -21 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 10375010 | 19877 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 179 | 1 | 1 | 5 | -0.2 | CC1C=C(c2nnn(C)n2)CNC1 | 10.1021/jm00050a006 | ||
| CHEMBL130387 | 19877 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 179 | 1 | 1 | 5 | -0.2 | CC1C=C(c2nnn(C)n2)CNC1 | 10.1021/jm00050a006 | ||
| 4212 | 197002 | 75 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL1417019 | 197002 | 75 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL58 | 197002 | 75 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| 10105880 | 37218 | 0 | None | 5 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 244 | 1 | 1 | 4 | 1.7 | OC1(c2nc3ccccc3o2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL145533 | 37218 | 0 | None | 5 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 244 | 1 | 1 | 4 | 1.7 | OC1(c2nc3ccccc3o2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 1353 | 1880 | 85 | None | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| 3559 | 1880 | 85 | None | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| 86 | 1880 | 85 | None | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| CHEMBL54 | 1880 | 85 | None | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| DB00502 | 1880 | 85 | None | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| 137630994 | 160593 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CC(C[N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4103375 | 160593 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CC(C[N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117267 | 160593 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CC(C[N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 16086003 | 80021 | 0 | None | -426 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| CHEMBL214642 | 80021 | 0 | None | -426 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| 71451002 | 79300 | 0 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 185 | 1 | 2 | 4 | -0.3 | COC(=O)[C@H]1CC2NC1CC[C@@H]2O | 10.1021/jm9705115 | ||
| CHEMBL2115494 | 79300 | 0 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 185 | 1 | 2 | 4 | -0.3 | COC(=O)[C@H]1CC2NC1CC[C@@H]2O | 10.1021/jm9705115 | ||
| 53414666 | 158754 | 7 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 192 | 4 | 1 | 3 | 1.2 | c1cncc(COCC2CCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4099673 | 158754 | 7 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 192 | 4 | 1 | 3 | 1.2 | c1cncc(COCC2CCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 71451002 | 79300 | 0 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 185 | 1 | 2 | 4 | -0.3 | COC(=O)[C@H]1CC2NC1CC[C@@H]2O | 10.1021/jm9705115 | ||
| CHEMBL2115494 | 79300 | 0 | None | -1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 185 | 1 | 2 | 4 | -0.3 | COC(=O)[C@H]1CC2NC1CC[C@@H]2O | 10.1021/jm9705115 | ||
| 15050954 | 202305 | 0 | None | -2 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 524 | 6 | 1 | 7 | 2.6 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL69620 | 202305 | 0 | None | -2 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 524 | 6 | 1 | 7 | 2.6 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 9308 | 17572 | 16 | None | -10 | 7 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL1255785 | 17572 | 16 | None | -10 | 7 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL12587 | 17572 | 16 | None | -10 | 7 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL292911 | 17572 | 16 | None | -10 | 7 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2007.12.036 | ||
| 44291056 | 74127 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 445 | 6 | 0 | 2 | 7.0 | Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL2021528 | 74127 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 445 | 6 | 0 | 2 | 7.0 | Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL2027985 | 74127 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 445 | 6 | 0 | 2 | 7.0 | Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| 118719930 | 115284 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354077 | 115284 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 44457753 | 98735 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| CHEMBL281388 | 98735 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| 202119 | 11930 | 3 | None | -3 | 3 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL1183388 | 11930 | 3 | None | -3 | 3 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL294470 | 11930 | 3 | None | -3 | 3 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| 12963076 | 194950 | 2 | None | -162 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL564226 | 194950 | 2 | None | -162 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44274468 | 80194 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21508 | 80194 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 155551421 | 173394 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 424 | 7 | 0 | 5 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4541656 | 173394 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 424 | 7 | 0 | 5 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 11651045 | 136898 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1107 | 27 | 3 | 14 | 5.8 | CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc54)CC3)cc2S(=O)(=O)[O-])cc1 | 10.1021/jm050459+ | ||
| CHEMBL375340 | 136898 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1107 | 27 | 3 | 14 | 5.8 | CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc54)CC3)cc2S(=O)(=O)[O-])cc1 | 10.1021/jm050459+ | ||
| 44457753 | 98735 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| CHEMBL281388 | 98735 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| 44330392 | 106832 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm0300375 | ||
| CHEMBL317362 | 106832 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm0300375 | ||
| 44330392 | 106832 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| CHEMBL317362 | 106832 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.5 | CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| 44309790 | 202027 | 0 | None | 1 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CC(=O)OC1CC2CC1CN2Cc1ccccc1 | 10.1021/jm00090a006 | ||
| CHEMBL67700 | 202027 | 0 | None | 1 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CC(=O)OC1CC2CC1CN2Cc1ccccc1 | 10.1021/jm00090a006 | ||
| 6075 | 149575 | 36 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 149575 | 36 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 44431389 | 145618 | 0 | None | -10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 348 | 6 | 2 | 5 | 2.3 | CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL391977 | 145618 | 0 | None | -10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 348 | 6 | 2 | 5 | 2.3 | CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 11265950 | 194239 | 0 | None | -1000 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 5 | 0 | 3 | 3.0 | CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 | 10.1021/jm900933k | ||
| CHEMBL559251 | 194239 | 0 | None | -1000 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 5 | 0 | 3 | 3.0 | CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 | 10.1021/jm900933k | ||
| 152278786 | 182170 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4790083 | 182170 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 9821459 | 198759 | 7 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 384 | 7 | 2 | 3 | 4.0 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL59836 | 198759 | 7 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 384 | 7 | 2 | 3 | 4.0 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1021/jm0003135 | ||
| 164619973 | 187956 | 0 | None | -57 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862996 | 187956 | 0 | None | -57 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028571 | 187956 | 0 | None | -57 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44593627 | 192696 | 0 | None | 2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524071 | 192696 | 0 | None | 2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL541671 | 192696 | 0 | None | 2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10963509 | 18310 | 1 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| CHEMBL127273 | 18310 | 1 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| 2551 | 782 | 23 | None | 3 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 298 | 782 | 23 | None | 3 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 488 | 782 | 23 | None | 3 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| CHEMBL965 | 782 | 23 | None | 3 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| DB00411 | 782 | 23 | None | 3 | 11 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 26987 | 936 | 29 | None | -45 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 6063 | 936 | 29 | None | -45 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 671 | 936 | 29 | None | -45 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| CHEMBL1626 | 936 | 29 | None | -45 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| DB00283 | 936 | 29 | None | -45 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 10125445 | 75675 | 0 | None | -6 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| CHEMBL205654 | 75675 | 0 | None | -6 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| 44428745 | 91745 | 0 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | ||
| CHEMBL242345 | 91745 | 0 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | ||
| 155513986 | 175913 | 0 | None | -11 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4439675 | 175913 | 0 | None | -11 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596667 | 175913 | 0 | None | -11 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155515662 | 169397 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(OCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4441786 | 169397 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(OCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 44318851 | 104247 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL310558 | 104247 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 10104 | 3510 | 7 | None | -6 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| 6604866 | 3510 | 7 | None | -6 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| CHEMBL1493369 | 3510 | 7 | None | -6 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| 44627855 | 195695 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569212 | 195695 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 145962050 | 161083 | 0 | None | 2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4130037 | 161083 | 0 | None | 2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 44308798 | 202349 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 434 | 6 | 1 | 3 | 4.4 | O=C(N1CCC(CCN2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69904 | 202349 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 434 | 6 | 1 | 3 | 4.4 | O=C(N1CCC(CCN2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 12066267 | 67393 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 447 | 7 | 0 | 2 | 6.9 | C[C@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm990265s | ||
| CHEMBL1907826 | 67393 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 447 | 7 | 0 | 2 | 6.9 | C[C@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm990265s | ||
| 9855978 | 57516 | 21 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 225 | 1 | 1 | 3 | 2.2 | Nc1ccnc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL166991 | 57516 | 21 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 225 | 1 | 1 | 3 | 2.2 | Nc1ccnc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| 11265950 | 194239 | 0 | None | -1000 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 279 | 5 | 0 | 3 | 3.0 | CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 | 10.1016/j.bmcl.2010.02.055 | ||
| CHEMBL559251 | 194239 | 0 | None | -1000 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 279 | 5 | 0 | 3 | 3.0 | CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 | 10.1016/j.bmcl.2010.02.055 | ||
| 15749864 | 99997 | 3 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL290715 | 99997 | 3 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 46886605 | 8818 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 286 | 2 | 0 | 3 | 1.8 | CN1CCC=C(C2CN(C(=O)c3ccccc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| CHEMBL1097622 | 8818 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 286 | 2 | 0 | 3 | 1.8 | CN1CCC=C(C2CN(C(=O)c3ccccc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| 44612797 | 196517 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 365 | 4 | 1 | 4 | 4.1 | CN1CCC=C(C2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| CHEMBL575066 | 196517 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 365 | 4 | 1 | 4 | 4.1 | CN1CCC=C(C2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| 11759379 | 120264 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355392 | 120264 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 164611347 | 187890 | 0 | None | -25 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4856090 | 187890 | 0 | None | -25 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028070 | 187890 | 0 | None | -25 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44450620 | 95387 | 0 | None | -3 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL258905 | 95387 | 0 | None | -3 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 1836 | 2554 | 56 | None | -50 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 3340 | 2554 | 56 | None | -50 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 5281040 | 2554 | 56 | None | -50 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| CHEMBL787 | 2554 | 56 | None | -50 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| DB00471 | 2554 | 56 | None | -50 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | ||
| 145961981 | 160984 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128497 | 160984 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 90469115 | 185260 | 2 | None | -645 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | ||
| CHEMBL4867565 | 185260 | 2 | None | -645 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 410 | 3 | 1 | 6 | 3.0 | O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 | 10.1021/acs.jmedchem.1c00224 | ||
| 171578 | 12198 | 5 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | ||
| CHEMBL1184962 | 12198 | 5 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | ||
| CHEMBL380759 | 12198 | 5 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | ||
| 71457751 | 83444 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 330 | 10 | 1 | 3 | 4.2 | Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 | 10.1021/jm201348t | ||
| CHEMBL2206335 | 83444 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 330 | 10 | 1 | 3 | 4.2 | Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 | 10.1021/jm201348t | ||
| 290 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| 4022 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| 5926 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| CHEMBL40554 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| CHEMBL74300 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| 290 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| 4022 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| 5926 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL40554 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL74300 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| 290 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| 4022 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| 5926 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL40554 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL74300 | 2438 | 4 | None | 4 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| 302 | 2929 | 23 | None | -20 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00087a008 | ||
| 4630 | 2929 | 23 | None | -20 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00087a008 | ||
| CHEMBL7634 | 2929 | 23 | None | -20 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00087a008 | ||
| 44448646 | 11803 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182612 | 11803 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL254586 | 11803 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 44418764 | 81747 | 0 | None | -7 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| CHEMBL216928 | 81747 | 0 | None | -7 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| 10182490 | 13773 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 14 | 0 | 10 | 1.2 | CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1196131 | 13773 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 14 | 0 | 10 | 1.2 | CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL555992 | 13773 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 14 | 0 | 10 | 1.2 | CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 11092603 | 4792 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 524 | 7 | 0 | 7 | 5.8 | C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104332 | 4792 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 524 | 7 | 0 | 7 | 5.8 | C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 164627253 | 188018 | 0 | None | -45 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4876651 | 188018 | 0 | None | -45 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028989 | 188018 | 0 | None | -45 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11071537 | 26291 | 0 | None | -125 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL136027 | 26291 | 0 | None | -125 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 11004046 | 5381 | 0 | None | -131 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 406 | 3 | 0 | 6 | 4.1 | CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL107444 | 5381 | 0 | None | -131 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 406 | 3 | 0 | 6 | 4.1 | CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 46227483 | 14010 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198039 | 14010 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593685 | 14010 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 9883040 | 100071 | 0 | None | -39 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL291339 | 100071 | 0 | None | -39 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL542622 | 100071 | 0 | None | -39 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 24841480 | 183317 | 0 | None | 3 | 20 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL481153 | 183317 | 0 | None | 3 | 20 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 2220 | 3085 | 78 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| 27400 | 3085 | 78 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| 93 | 3085 | 78 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| CHEMBL294951 | 3085 | 78 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| DB06153 | 3085 | 78 | None | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | 10.1016/j.bmc.2013.10.010 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| 11544156 | 193232 | 0 | None | -22 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.7 | CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1 | 10.1021/jm900933k | ||
| CHEMBL540982 | 193232 | 0 | None | -22 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 313 | 5 | 0 | 2 | 4.7 | CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1 | 10.1021/jm900933k | ||
| 155541812 | 172481 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 4.1 | O=C(OC1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4519301 | 172481 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 4.1 | O=C(OC1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 44627746 | 13928 | 0 | None | 3 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197392 | 13928 | 0 | None | 3 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569760 | 13928 | 0 | None | 3 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10314131 | 102949 | 0 | None | 8 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(O)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084872 | 102949 | 0 | None | 8 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(O)cc1)C2 | 10.1021/jm00020a006 | ||
| 71128 | 96362 | 18 | None | -10 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00085a017 | ||
| CHEMBL26505 | 96362 | 18 | None | -10 | 8 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00085a017 | ||
| 44308912 | 102360 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 338 | 4 | 2 | 3 | 2.1 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL305531 | 102360 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 338 | 4 | 2 | 3 | 2.1 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44308899 | 202308 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 330 | 5 | 2 | 3 | 2.7 | NCCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69648 | 202308 | 0 | None | -1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 330 | 5 | 2 | 3 | 2.7 | NCCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 135398745 | 2869 | 108 | None | -5 | 65 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm0002432 | ||
| 47 | 2869 | 108 | None | -5 | 65 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm0002432 | ||
| CHEMBL715 | 2869 | 108 | None | -5 | 65 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm0002432 | ||
| DB00334 | 2869 | 108 | None | -5 | 65 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm0002432 | ||
| 135398737 | 944 | 89 | None | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| 38 | 944 | 89 | None | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| 722 | 944 | 89 | None | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| CHEMBL42 | 944 | 89 | None | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| DB00363 | 944 | 89 | None | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| 138711325 | 177322 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 328 | 4 | 2 | 3 | 4.0 | O=C(Nc1ccc(F)cc1-c1ccccc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4644852 | 177322 | 0 | None | -3 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 328 | 4 | 2 | 3 | 4.0 | O=C(Nc1ccc(F)cc1-c1ccccc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 10693031 | 120474 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 412 | 6 | 2 | 4 | 4.2 | Cc1cc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cs1 | 10.1021/jm0003135 | ||
| CHEMBL356305 | 120474 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 412 | 6 | 2 | 4 | 4.2 | Cc1cc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cs1 | 10.1021/jm0003135 | ||
| 14967772 | 13302 | 7 | None | 58 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 415 | 7 | 0 | 3 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(I)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1192807 | 13302 | 7 | None | 58 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 415 | 7 | 0 | 3 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(I)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL544107 | 13302 | 7 | None | 58 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 415 | 7 | 0 | 3 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(I)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 155521894 | 175851 | 0 | None | -26 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451383 | 175851 | 0 | None | -26 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596183 | 175851 | 0 | None | -26 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 71454563 | 79246 | 0 | None | -37 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2115128 | 79246 | 0 | None | -37 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 71452754 | 79127 | 0 | None | 1 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.6 | CN1CC2CC1[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00090a006 | ||
| CHEMBL2114061 | 79127 | 0 | None | 1 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.6 | CN1CC2CC1[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00090a006 | ||
| 155567380 | 175834 | 0 | None | -28 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4589047 | 175834 | 0 | None | -28 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596064 | 175834 | 0 | None | -28 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155566290 | 176006 | 0 | None | -30 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582879 | 176006 | 0 | None | -30 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597498 | 176006 | 0 | None | -30 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 156015900 | 177746 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4643273 | 177746 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651104 | 177746 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 156015978 | 177748 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 90645361 | 112318 | 0 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 4.8 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298601 | 112318 | 0 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 4.8 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307123 | 112318 | 0 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 4.8 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 9838581 | 11872 | 2 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL1183042 | 11872 | 2 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL277014 | 11872 | 2 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| 16115801 | 12189 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184882 | 12189 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL375851 | 12189 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 155539713 | 175786 | 0 | None | -20 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4515788 | 175786 | 0 | None | -20 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595691 | 175786 | 0 | None | -20 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 2381 | 656 | 43 | None | -2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 374 | 656 | 43 | None | -2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 7128 | 656 | 43 | None | -2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL1101 | 656 | 43 | None | -2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| DB00810 | 656 | 43 | None | -2 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 155560305 | 175679 | 0 | None | -10 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4568151 | 175679 | 0 | None | -10 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4594890 | 175679 | 0 | None | -10 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 2028 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 359 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 4634 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| CHEMBL1231 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| DB01062 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 11501540 | 133080 | 0 | None | 3 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 | 10.1021/jm050099q | ||
| CHEMBL371293 | 133080 | 0 | None | 3 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 | 10.1021/jm050099q | ||
| 12963076 | 194950 | 2 | None | -162 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm900933k | ||
| CHEMBL564226 | 194950 | 2 | None | -162 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm900933k | ||
| 10812455 | 39549 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147653 | 39549 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 9892600 | 58188 | 0 | None | 1 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 12 | 2 | 6 | 5.0 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCN)CC1)c1ccccc1NC2=O | 10.1016/S0960-894X(00)80542-9 | ||
| CHEMBL168329 | 58188 | 0 | None | 1 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 12 | 2 | 6 | 5.0 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCN)CC1)c1ccccc1NC2=O | 10.1016/S0960-894X(00)80542-9 | ||
| 3042 | 1386 | 31 | None | -1 | 15 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| 355 | 1386 | 31 | None | -1 | 15 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| 868 | 1386 | 31 | None | -1 | 15 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| CHEMBL1123 | 1386 | 31 | None | -1 | 15 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| DB00804 | 1386 | 31 | None | -1 | 15 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| 135398737 | 944 | 89 | None | -2 | 91 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 944 | 89 | None | -2 | 91 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 944 | 89 | None | -2 | 91 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 944 | 89 | None | -2 | 91 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 9838581 | 11872 | 2 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL1183042 | 11872 | 2 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL277014 | 11872 | 2 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| 10551354 | 39519 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 4.2 | O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147611 | 39519 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 4.2 | O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 10647703 | 120455 | 0 | None | 2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 6 | 3 | 4 | 3.8 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F | 10.1021/jm0003135 | ||
| CHEMBL356181 | 120455 | 0 | None | 2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 6 | 3 | 4 | 3.8 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F | 10.1021/jm0003135 | ||
| 155566290 | 176006 | 0 | None | -30 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4582879 | 176006 | 0 | None | -30 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4597498 | 176006 | 0 | None | -30 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10418181 | 9495 | 1 | None | 2 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL112500 | 9495 | 1 | None | 2 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201995 | 9495 | 1 | None | 2 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 10762016 | 102974 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(C(F)(F)F)c1)C2 | 10.1021/jm950782k | ||
| CHEMBL3084901 | 102974 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1cccc(C(F)(F)F)c1)C2 | 10.1021/jm950782k | ||
| 164627113 | 188017 | 0 | None | -13 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 7 | 2 | 5 | 4.2 | NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4878646 | 188017 | 0 | None | -13 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 7 | 2 | 5 | 4.2 | NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028981 | 188017 | 0 | None | -13 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 7 | 2 | 5 | 4.2 | NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162677523 | 183092 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4756833 | 183092 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4802932 | 183092 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 10500741 | 38310 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 3.8 | O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL146464 | 38310 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 3.8 | O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 14939893 | 9443 | 0 | None | 1 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL112244 | 9443 | 0 | None | 1 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 10041771 | 102957 | 0 | None | 13 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 321 | 4 | 0 | 2 | 4.7 | Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084881 | 102957 | 0 | None | 13 | 2 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 321 | 4 | 0 | 2 | 4.7 | Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| 180 | 397 | 50 | None | -14 | 38 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -14 | 38 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -14 | 38 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -14 | 38 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -14 | 38 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 155535606 | 171486 | 0 | None | -4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4471882 | 171486 | 0 | None | -4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.8b01967 | ||
| 5648 | 78002 | 7 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2107687 | 78002 | 7 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2111176 | 78002 | 7 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| 9867847 | 202555 | 0 | None | -16 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71147 | 202555 | 0 | None | -16 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 9867847 | 202555 | 0 | None | -16 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL71147 | 202555 | 0 | None | -16 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| 124300908 | 13083 | 5 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 2606 | 13083 | 5 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1191029 | 13083 | 5 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL542065 | 13083 | 5 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 156015807 | 177724 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 15157138 | 99164 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 345 | 9 | 0 | 3 | 4.8 | CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL284137 | 99164 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 345 | 9 | 0 | 3 | 4.8 | CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 44337761 | 9100 | 0 | None | 3 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC1C[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL110339 | 9100 | 0 | None | 3 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC1C[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 155543944 | 175760 | 0 | None | -8 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4567026 | 175760 | 0 | None | -8 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595467 | 175760 | 0 | None | -8 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10962438 | 118669 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 452 | 7 | 0 | 10 | 3.7 | CN1CCC=C(c2nsnc2SCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL343055 | 118669 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 452 | 7 | 0 | 10 | 3.7 | CN1CCC=C(c2nsnc2SCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 44313630 | 203111 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 9 | 0 | 4 | 5.1 | CCN(CC)CCOCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL75217 | 203111 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 9 | 0 | 4 | 5.1 | CCN(CC)CCOCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| 2726 | 906 | 64 | None | -19 | 72 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 906 | 64 | None | -19 | 72 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 906 | 64 | None | -19 | 72 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 906 | 64 | None | -19 | 72 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 906 | 64 | None | -19 | 72 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 4543 | 169982 | 36 | None | -2 | 29 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169982 | 36 | None | -2 | 29 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169982 | 36 | None | -2 | 29 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.7b00839 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.7b00839 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.7b00839 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.7b00839 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.7b00839 | ||
| 71575337 | 85774 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| CHEMBL2312358 | 85774 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| 11722587 | 12827 | 0 | None | 5 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 304 | 7 | 1 | 4 | 3.0 | CCN(CC)CCOC(=O)C1(c2ccc(N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1189204 | 12827 | 0 | None | 5 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 304 | 7 | 1 | 4 | 3.0 | CCN(CC)CCOC(=O)C1(c2ccc(N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL538266 | 12827 | 0 | None | 5 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 304 | 7 | 1 | 4 | 3.0 | CCN(CC)CCOC(=O)C1(c2ccc(N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 15678850 | 102534 | 0 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 10 | 2 | 6 | 3.2 | NCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL306875 | 102534 | 0 | None | 1 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 10 | 2 | 6 | 3.2 | NCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 156017826 | 177284 | 0 | None | 3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4644285 | 177284 | 0 | None | 3 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 401873 | 19180 | 4 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 369 | 5 | 0 | 2 | 5.3 | CN1C2CCC1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL129193 | 19180 | 4 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 369 | 5 | 0 | 2 | 5.3 | CN1C2CCC1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| 44312468 | 202881 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(C(C)c2ccc(S(=O)(=O)c3ccccc3)cc2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL73145 | 202881 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(C(C)c2ccc(S(=O)(=O)c3ccccc3)cc2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44431372 | 86887 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 7 | 1 | 4 | 3.7 | CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233198 | 86887 | 0 | None | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 7 | 1 | 4 | 3.7 | CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | 10.1016/j.bmcl.2006.11.058 | ||
| 155551306 | 173389 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 4.8 | Cc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4541518 | 173389 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 4.8 | Cc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 71575123 | 85787 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 379 | 6 | 0 | 5 | 3.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312377 | 85787 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 379 | 6 | 0 | 5 | 3.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | ||
| 71575029 | 85797 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1 | 10.1021/jm301774u | ||
| CHEMBL2312391 | 85797 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1 | 10.1021/jm301774u | ||
| 10835518 | 40086 | 0 | None | -16 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 412 | 6 | 2 | 3 | 4.6 | O=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL148129 | 40086 | 0 | None | -16 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 412 | 6 | 2 | 3 | 4.6 | O=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 10739662 | 42031 | 0 | None | -11 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.2 | O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL149769 | 42031 | 0 | None | -11 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.2 | O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 46884698 | 8216 | 0 | None | -1318 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc21 | 10.1016/j.bmcl.2010.02.055 | ||
| CHEMBL1092650 | 8216 | 0 | None | -1318 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc21 | 10.1016/j.bmcl.2010.02.055 | ||
| 9794266 | 156609 | 0 | None | -2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 205 | 2 | 0 | 2 | 2.1 | COc1cccc2c1CC(N(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4075227 | 156609 | 0 | None | -2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 205 | 2 | 0 | 2 | 2.1 | COc1cccc2c1CC(N(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 16086065 | 79387 | 0 | None | -707 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 622 | 10 | 3 | 5 | 3.9 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| CHEMBL211976 | 79387 | 0 | None | -707 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 622 | 10 | 3 | 5 | 3.9 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| 44247806 | 193995 | 1 | None | -14454 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 293 | 5 | 0 | 3 | 3.5 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1cnccn1 | 10.1016/j.bmcl.2010.02.055 | ||
| CHEMBL556506 | 193995 | 1 | None | -14454 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 293 | 5 | 0 | 3 | 3.5 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1cnccn1 | 10.1016/j.bmcl.2010.02.055 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 44285558 | 153499 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.7 | C[C@@H]1CCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL39843 | 153499 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.7 | C[C@@H]1CCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 137639541 | 156162 | 0 | None | 2 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 206 | 3 | 0 | 3 | 1.7 | CN1CCCC(OCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4070061 | 156162 | 0 | None | 2 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 206 | 3 | 0 | 3 | 1.7 | CN1CCCC(OCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 137629259 | 160457 | 0 | None | 1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 204 | 2 | 0 | 1 | 1.8 | COc1cccc(C#CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4092769 | 160457 | 0 | None | 1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 204 | 2 | 0 | 1 | 1.8 | COc1cccc(C#CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116203 | 160457 | 0 | None | 1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 204 | 2 | 0 | 1 | 1.8 | COc1cccc(C#CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 10386 | 160621 | 13 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4092348 | 160621 | 13 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117554 | 160621 | 13 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44318766 | 204037 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| CHEMBL82754 | 204037 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| 10042207 | 10959 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 2 | 4.4 | Fc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL11776 | 10959 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 2 | 4.4 | Fc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| 44328347 | 205817 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 317 | 1 | 1 | 2 | 3.6 | OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc21 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL94772 | 205817 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 317 | 1 | 1 | 2 | 3.6 | OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc21 | 10.1016/S0960-894X(01)80824-6 | ||
| 162353393 | 178859 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4740422 | 178859 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | ||
| 9931930 | 108113 | 0 | None | -1023 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL320465 | 108113 | 0 | None | -1023 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 303 | 2930 | 16 | None | -144 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 4629 | 2930 | 16 | None | -144 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 8595 | 2930 | 16 | None | -144 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL44674 | 2930 | 16 | None | -144 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 10114698 | 4764 | 0 | None | -1862 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104210 | 4764 | 0 | None | -1862 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 9796255 | 128526 | 0 | None | -1905 | 8 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 1 | 0 | 4 | 3.2 | CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1 | 10.1021/jm0309811 | ||
| CHEMBL367045 | 128526 | 0 | None | -1905 | 8 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 1 | 0 | 4 | 3.2 | CN1CCN(C2=Cn3cccc3Sc3ccccc32)CC1 | 10.1021/jm0309811 | ||
| 44308913 | 202269 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 4 | 2 | 4 | 0.9 | NCC(=O)N1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69402 | 202269 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 4 | 2 | 4 | 0.9 | NCC(=O)N1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44431381 | 148489 | 0 | None | -8 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 6 | 1 | 4 | 2.9 | CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL394254 | 148489 | 0 | None | -8 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 6 | 1 | 4 | 2.9 | CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 10035855 | 20236 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 205 | 3 | 0 | 5 | 0.6 | C=CCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL130689 | 20236 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 205 | 3 | 0 | 5 | 0.6 | C=CCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 9838581 | 11872 | 2 | None | - | 1 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL1183042 | 11872 | 2 | None | - | 1 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| CHEMBL277014 | 11872 | 2 | None | - | 1 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 166 | 1 | 1 | 5 | 0.1 | Cc1noc(C2CN=CNC2)n1 | 10.1021/jm960467d | ||
| 164609510 | 187881 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 21 | 11 | 10 | 0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846562 | 187881 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 21 | 11 | 10 | 0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027965 | 187881 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 21 | 11 | 10 | 0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| 44576913 | 192711 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524186 | 192711 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL557808 | 192711 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44308818 | 101611 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.4 | NCc1cccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)c1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL302145 | 101611 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.4 | NCc1cccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)c1 | 10.1016/s0960-894x(03)00350-0 | ||
| 71574365 | 85766 | 0 | None | 5 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(C(=O)OCCc2ccc3c(c2)CCO3)=C(c2ccccc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312344 | 85766 | 0 | None | 5 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(C(=O)OCCc2ccc3c(c2)CCO3)=C(c2ccccc2)C1 | 10.1021/jm301774u | ||
| 14956862 | 13623 | 0 | None | 10 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 256 | 0 | 0 | 4 | 1.4 | CN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL1195116 | 13623 | 0 | None | 10 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 256 | 0 | 0 | 4 | 1.4 | CN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL553865 | 13623 | 0 | None | 10 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 256 | 0 | 0 | 4 | 1.4 | CN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O | 10.1021/jm00068a005 | ||
| 10104047 | 21437 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL131777 | 21437 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 16086064 | 79550 | 0 | None | -407 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 730 | 10 | 2 | 5 | 5.6 | O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL212645 | 79550 | 0 | None | -407 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 730 | 10 | 2 | 5 | 5.6 | O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 9815331 | 201417 | 1 | None | -537 | 8 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -537 | 8 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 9815331 | 201417 | 1 | None | -489 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -489 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 9815331 | 201417 | 1 | None | -489 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL64000 | 201417 | 1 | None | -489 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 76335160 | 103001 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 3.6 | NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085023 | 103001 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 3.6 | NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| 76335160 | 103001 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 3.6 | NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2010.11.075 | ||
| CHEMBL3085023 | 103001 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 3.6 | NCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2010.11.075 | ||
| 44450637 | 154657 | 0 | None | -12 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL402473 | 154657 | 0 | None | -12 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 9815331 | 201417 | 1 | None | -489 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL64000 | 201417 | 1 | None | -489 | 8 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1016/j.bmc.2007.12.036 | ||
| 1353 | 1880 | 85 | None | -758 | 85 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| 3559 | 1880 | 85 | None | -758 | 85 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| 86 | 1880 | 85 | None | -758 | 85 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| CHEMBL54 | 1880 | 85 | None | -758 | 85 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| DB00502 | 1880 | 85 | None | -758 | 85 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| 44309788 | 102197 | 0 | None | 1 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CC2CC1N(C)C2 | 10.1021/jm00090a006 | ||
| CHEMBL304551 | 102197 | 0 | None | 1 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CC2CC1N(C)C2 | 10.1021/jm00090a006 | ||
| 44267871 | 166559 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 5.1 | CC(C)[C@@H](N)CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| CHEMBL429015 | 166559 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 5.1 | CC(C)[C@@H](N)CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| 10862395 | 4957 | 0 | None | -549 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105148 | 4957 | 0 | None | -549 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 44274417 | 98437 | 0 | None | -2 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL279225 | 98437 | 0 | None | -2 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 11729182 | 5160 | 0 | None | -5 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106259 | 5160 | 0 | None | -5 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 71454535 | 79124 | 0 | None | 1 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)O[C@@H]1CC2CC1CN2C | 10.1021/jm00090a006 | ||
| CHEMBL2114058 | 79124 | 0 | None | 1 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)O[C@@H]1CC2CC1CN2C | 10.1021/jm00090a006 | ||
| 44299324 | 194452 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1cncc(OC2CN3CCC2C3)n1 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL56106 | 194452 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1cncc(OC2CN3CCC2C3)n1 | 10.1016/s0960-894x(99)00313-3 | ||
| 2801 | 161325 | 56 | None | -1 | 28 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161325 | 56 | None | -1 | 28 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161325 | 56 | None | -1 | 28 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 135398745 | 2869 | 108 | None | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm010982y | ||
| 47 | 2869 | 108 | None | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm010982y | ||
| CHEMBL715 | 2869 | 108 | None | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm010982y | ||
| DB00334 | 2869 | 108 | None | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm010982y | ||
| 135398745 | 2869 | 108 | None | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm0309811 | ||
| 47 | 2869 | 108 | None | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm0309811 | ||
| CHEMBL715 | 2869 | 108 | None | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm0309811 | ||
| DB00334 | 2869 | 108 | None | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm0309811 | ||
| 10622033 | 42536 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 420 | 7 | 2 | 3 | 4.2 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL150219 | 42536 | 0 | None | -3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 420 | 7 | 2 | 3 | 4.2 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1021/jm0003135 | ||
| 70687661 | 74104 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021476 | 74104 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027845 | 74104 | 0 | None | -5 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| 155560140 | 175773 | 0 | None | -15 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4565234 | 175773 | 0 | None | -15 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595575 | 175773 | 0 | None | -15 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44627854 | 196032 | 0 | None | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL571341 | 196032 | 0 | None | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10330893 | 120608 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 215 | 2 | 0 | 2 | 2.8 | COc1ccccc1C1=CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL357444 | 120608 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 215 | 2 | 0 | 2 | 2.8 | COc1ccccc1C1=CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 44431367 | 87554 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 6 | 1 | 4 | 2.6 | CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234252 | 87554 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 326 | 6 | 1 | 4 | 2.6 | CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 44431369 | 87555 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 6 | 1 | 4 | 2.9 | Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234253 | 87555 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 6 | 1 | 4 | 2.9 | Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | 10.1016/j.bmcl.2006.11.058 | ||
| 16086062 | 80379 | 0 | None | -416 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 730 | 11 | 2 | 5 | 5.4 | O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL215189 | 80379 | 0 | None | -416 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 730 | 11 | 2 | 5 | 5.4 | O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 14964495 | 12505 | 1 | None | -4 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118700 | 12505 | 1 | None | -4 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 15196235 | 118688 | 2 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 181 | 1 | 0 | 2 | 1.5 | C1COC(C2CN3CCC2CC3)C1 | 10.1021/jm00003a011 | ||
| CHEMBL343182 | 118688 | 2 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 181 | 1 | 0 | 2 | 1.5 | C1COC(C2CN3CCC2CC3)C1 | 10.1021/jm00003a011 | ||
| 10103909 | 201613 | 3 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 2.1 | C1=C(c2cccnc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL64779 | 201613 | 3 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 2.1 | C1=C(c2cccnc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 46884152 | 8168 | 0 | None | -812 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 5 | 0 | 3 | 4.7 | C[C@@H](c1ncccc1F)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| CHEMBL1092377 | 8168 | 0 | None | -812 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 5 | 0 | 3 | 4.7 | C[C@@H](c1ncccc1F)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| 9815331 | 201417 | 1 | None | -537 | 8 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -537 | 8 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 9815331 | 201417 | 1 | None | -537 | 8 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -537 | 8 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 9815331 | 201417 | 1 | None | -537 | 8 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -537 | 8 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 44337638 | 110077 | 0 | None | 1 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| CHEMBL325322 | 110077 | 0 | None | 1 | 2 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| 9974229 | 119780 | 0 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 335 | 4 | 0 | 4 | 3.1 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCOCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL352618 | 119780 | 0 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 335 | 4 | 0 | 4 | 3.1 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCOCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 10871551 | 120003 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 6 | 0 | 2 | 5.2 | CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL354523 | 120003 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 6 | 0 | 2 | 5.2 | CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 164627575 | 188023 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 859 | 21 | 8 | 11 | 1.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4873979 | 188023 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 859 | 21 | 8 | 11 | 1.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029004 | 188023 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 859 | 21 | 8 | 11 | 1.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 12259685 | 199863 | 10 | None | -2 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 285 | 2 | 1 | 2 | 3.9 | CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | 10.1021/jm00039a008 | ||
| CHEMBL60542 | 199863 | 10 | None | -2 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 285 | 2 | 1 | 2 | 3.9 | CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | 10.1021/jm00039a008 | ||
| 156578 | 140957 | 5 | None | -81 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 192 | 2 | 0 | 2 | 0.3 | O=C1CCCN1CC#CCN1CCC1 | 10.1021/jm00087a008 | ||
| CHEMBL38441 | 140957 | 5 | None | -81 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 192 | 2 | 0 | 2 | 0.3 | O=C1CCCN1CC#CCN1CCC1 | 10.1021/jm00087a008 | ||
| 71452791 | 79241 | 0 | None | 21 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CC(=O)O[C@@H]1CC2CC1N(Cc1ccccc1)C2 | 10.1021/jm00090a006 | ||
| CHEMBL2115123 | 79241 | 0 | None | 21 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CC(=O)O[C@@H]1CC2CC1N(Cc1ccccc1)C2 | 10.1021/jm00090a006 | ||
| 71450877 | 78293 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.7 | CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCc1ccccc1)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL2112511 | 78293 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.7 | CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCc1ccccc1)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| 10851717 | 78068 | 1 | None | -239 | 5 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 299 | 1 | 0 | 4 | 2.9 | CN1CCN([C@@H]2Cn3cccc3Sc3ccccc32)CC1 | 10.1021/jm010982y | ||
| CHEMBL2111782 | 78068 | 1 | None | -239 | 5 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 299 | 1 | 0 | 4 | 2.9 | CN1CCN([C@@H]2Cn3cccc3Sc3ccccc32)CC1 | 10.1021/jm010982y | ||
| 306 | 3400 | 18 | None | -8 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| 3536 | 3400 | 18 | None | -8 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| 53930639 | 3400 | 18 | None | -8 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| 9577995 | 3400 | 18 | None | -8 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL134641 | 3400 | 18 | None | -8 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| 11808947 | 59141 | 0 | None | -4 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL171216 | 59141 | 0 | None | -4 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 46682613 | 180574 | 1 | None | -4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760823 | 180574 | 1 | None | -4 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 25147647 | 181557 | 0 | None | -2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL478226 | 181557 | 0 | None | -2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| 11498 | 2970 | 33 | None | -154 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| 4995951 | 2970 | 33 | None | -154 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL59898 | 2970 | 33 | None | -154 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| 137635734 | 155571 | 0 | None | -79 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4063176 | 155571 | 0 | None | -79 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 44309089 | 102536 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 352 | 5 | 3 | 3 | 2.4 | O=C(NCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL306903 | 102536 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 352 | 5 | 3 | 3 | 2.4 | O=C(NCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10299489 | 202440 | 0 | None | -4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 5.4 | COc1ccc([S+]([O-])c2ccc(C(N3CCN(C4CCCCC4)CC3)C(F)(F)F)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL70464 | 202440 | 0 | None | -4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 5.4 | COc1ccc([S+]([O-])c2ccc(C(N3CCN(C4CCCCC4)CC3)C(F)(F)F)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 137630667 | 160545 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4100938 | 160545 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116890 | 160545 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 132947 | 3803 | 8 | None | -37 | 9 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | ||
| 361 | 3803 | 8 | None | -37 | 9 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | ||
| CHEMBL265256 | 3803 | 8 | None | -37 | 9 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | ||
| 44627744 | 13926 | 0 | None | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197389 | 13926 | 0 | None | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL569729 | 13926 | 0 | None | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 132947 | 3803 | 8 | None | -37 | 9 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | ||
| 361 | 3803 | 8 | None | -37 | 9 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | ||
| CHEMBL265256 | 3803 | 8 | None | -37 | 9 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm050459+ | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm050459+ | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm050459+ | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm050459+ | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm050459+ | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm040800a | ||
| 10197743 | 12836 | 9 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 92209179 | 12836 | 9 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1189286 | 12836 | 9 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL538467 | 12836 | 9 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 11567493 | 200117 | 9 | None | 5 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL606902 | 200117 | 9 | None | 5 | 3 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 | 10.1021/jm050099q | ||
| 44318817 | 168548 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL440138 | 168548 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 57400504 | 69372 | 0 | None | -11 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 327 | 3 | 1 | 4 | 3.6 | Fc1ccc(Cn2c(C3CNCCS3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| CHEMBL1935445 | 69372 | 0 | None | -11 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 327 | 3 | 1 | 4 | 3.6 | Fc1ccc(Cn2c(C3CNCCS3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| 24936155 | 94185 | 0 | None | -38 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 508 | 4 | 2 | 3 | 5.1 | CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2 | 10.1016/j.bmcl.2007.10.109 | ||
| CHEMBL252258 | 94185 | 0 | None | -38 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 508 | 4 | 2 | 3 | 5.1 | CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2 | 10.1016/j.bmcl.2007.10.109 | ||
| 44386200 | 129215 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 5 | 0 | 3 | 1.9 | CCN(CC)CC#CCN1C(=O)CC(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL367436 | 129215 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 5 | 0 | 3 | 1.9 | CCN(CC)CC#CCN1C(=O)CC(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| 10080756 | 193870 | 5 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 1 | 1 | 5 | -0.3 | Cn1nnc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL554487 | 193870 | 5 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 1 | 1 | 5 | -0.3 | Cn1nnc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 9857902 | 60480 | 0 | None | -851 | 5 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 1 | 0 | 4 | 3.5 | Cc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2 | 10.1021/jm0309811 | ||
| CHEMBL176169 | 60480 | 0 | None | -851 | 5 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 1 | 0 | 4 | 3.5 | Cc1ccc2n1C=C(N1CCN(C)CC1)c1ccccc1S2 | 10.1021/jm0309811 | ||
| 10035281 | 100513 | 0 | None | 1 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL294273 | 100513 | 0 | None | 1 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 71454526 | 79049 | 0 | None | -1 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 273 | 3 | 0 | 3 | 3.2 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](C1)N([C@H](C)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL2113669 | 79049 | 0 | None | -1 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 273 | 3 | 0 | 3 | 3.2 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](C1)N([C@H](C)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 9949441 | 113963 | 0 | None | -549 | 5 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 331 | 2 | 0 | 4 | 3.5 | CCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1 | 10.1021/jm010982y | ||
| CHEMBL333455 | 113963 | 0 | None | -549 | 5 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 331 | 2 | 0 | 4 | 3.5 | CCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1 | 10.1021/jm010982y | ||
| 44299589 | 194723 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL56275 | 194723 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 156012563 | 177673 | 0 | None | 3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4637485 | 177673 | 0 | None | 3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650635 | 177673 | 0 | None | 3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10474335 | 193025 | 16 | None | -812 | 10 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL53325 | 193025 | 16 | None | -812 | 10 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| 162353369 | 180213 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756442 | 180213 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 12066269 | 67331 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 461 | 8 | 0 | 2 | 7.3 | CC[C@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm990265s | ||
| CHEMBL1907641 | 67331 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 461 | 8 | 0 | 2 | 7.3 | CC[C@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm990265s | ||
| CHEMBL4535474 | 212235 | 34 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
| 44342205 | 9973 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 8 | 1 | 3 | 4.8 | NCCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| CHEMBL115311 | 9973 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 8 | 1 | 3 | 4.8 | NCCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| 76335158 | 102984 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 459 | 6 | 0 | 2 | 6.3 | O=C(/C=C/c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| CHEMBL3084927 | 102984 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 459 | 6 | 0 | 2 | 6.3 | O=C(/C=C/c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| 11808946 | 120124 | 0 | None | -2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL354678 | 120124 | 0 | None | -2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44274433 | 99050 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL283320 | 99050 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 138711334 | 176752 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | O=C(Nc1ccc(F)cc1-c1cc(F)c(F)c(F)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4637155 | 176752 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | O=C(Nc1ccc(F)cc1-c1cc(F)c(F)c(F)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/acs.jmedchem.6b01422 | ||
| 10012808 | 20734 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 192 | 2 | 0 | 4 | 1.0 | CCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL131095 | 20734 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 192 | 2 | 0 | 4 | 1.0 | CCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 15678851 | 102200 | 0 | None | -1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 11 | 2 | 6 | 3.6 | NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL304582 | 102200 | 0 | None | -1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 11 | 2 | 6 | 3.6 | NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 71575119 | 85784 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 413 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312373 | 85784 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 413 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1 | 10.1021/jm301774u | ||
| 46884666 | 8202 | 0 | None | -3019 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 5 | 0 | 3 | 4.2 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1nccs1 | 10.1016/j.bmcl.2010.02.055 | ||
| CHEMBL1092598 | 8202 | 0 | None | -3019 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 5 | 0 | 3 | 4.2 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1nccs1 | 10.1016/j.bmcl.2010.02.055 | ||
| 15185521 | 23056 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 179 | 1 | 0 | 5 | -0.1 | CN1CCC=C(c2nnnn2C)C1 | 10.1021/jm00050a006 | ||
| CHEMBL133184 | 23056 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 179 | 1 | 0 | 5 | -0.1 | CN1CCC=C(c2nnnn2C)C1 | 10.1021/jm00050a006 | ||
| 18342968 | 167406 | 0 | None | -6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 455 | 7 | 1 | 5 | 3.3 | COc1ccc([S+]([O-])c2ccc(C(C(N)=O)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL431787 | 167406 | 0 | None | -6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 455 | 7 | 1 | 5 | 3.3 | COc1ccc([S+]([O-])c2ccc(C(C(N)=O)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 71575653 | 85772 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1cccc(C2=C(C(=O)OCCc3ccc4c(c3)CCO4)CN(C)CC2)c1 | 10.1021/jm301774u | ||
| CHEMBL2312353 | 85772 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1cccc(C2=C(C(=O)OCCc3ccc4c(c3)CCO4)CN(C)CC2)c1 | 10.1021/jm301774u | ||
| 2274 | 3124 | 53 | None | -51 | 32 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3124 | 53 | None | -51 | 32 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3124 | 53 | None | -51 | 32 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3124 | 53 | None | -51 | 32 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3124 | 53 | None | -51 | 32 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 71575553 | 85768 | 0 | None | -4 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 5 | 0 | 3 | 4.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc3ccccc23)C1 | 10.1021/jm301774u | ||
| CHEMBL2312347 | 85768 | 0 | None | -4 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 371 | 5 | 0 | 3 | 4.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc3ccccc23)C1 | 10.1021/jm301774u | ||
| 11045444 | 58877 | 0 | None | 1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL170088 | 58877 | 0 | None | 1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 47358375 | 180180 | 1 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756164 | 180180 | 1 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 46227413 | 14025 | 0 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198087 | 14025 | 0 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL595265 | 14025 | 0 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| 44291007 | 13764 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 459 | 8 | 0 | 2 | 7.5 | CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccccc1)C2 | 10.1021/jm030430a | ||
| CHEMBL1196074 | 13764 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 459 | 8 | 0 | 2 | 7.5 | CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccccc1)C2 | 10.1021/jm030430a | ||
| CHEMBL555855 | 13764 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 459 | 8 | 0 | 2 | 7.5 | CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccccc1)C2 | 10.1021/jm030430a | ||
| 132060752 | 162376 | 0 | None | -6 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 3.4 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4174189 | 162376 | 0 | None | -6 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 3.4 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm8007618 | ||
| 129989 | 447 | 41 | None | -12 | 9 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| 8584 | 447 | 41 | None | -12 | 9 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| CHEMBL43383 | 447 | 41 | None | -12 | 9 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| 101720828 | 96673 | 0 | None | -2 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 16147087 | 96673 | 0 | None | -2 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202002 | 96673 | 0 | None | -2 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL267643 | 96673 | 0 | None | -2 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 9913341 | 81746 | 3 | None | -14 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL216927 | 81746 | 3 | None | -14 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL553058 | 81746 | 3 | None | -14 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 44311771 | 163680 | 0 | None | -89 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL421113 | 163680 | 0 | None | -89 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44311771 | 163680 | 0 | None | -89 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL421113 | 163680 | 0 | None | -89 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 14964494 | 11852 | 1 | None | -2 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118292 | 11852 | 1 | None | -2 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL69452 | 202276 | 0 | None | -2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | ||
| 149706871 | 177063 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 358 | 5 | 2 | 4 | 4.0 | COc1ccc(-c2cc(F)ccc2NC(=O)OCC2CCNCC2)cc1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4641288 | 177063 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 358 | 5 | 2 | 4 | 4.0 | COc1ccc(-c2cc(F)ccc2NC(=O)OCC2CCNCC2)cc1 | 10.1021/acs.jmedchem.0c00297 | ||
| 10442279 | 116239 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 179 | 1 | 0 | 5 | -0.1 | CN1CCC=C(c2nnn(C)n2)C1 | 10.1021/jm00050a006 | ||
| CHEMBL337474 | 116239 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 179 | 1 | 0 | 5 | -0.1 | CN1CCC=C(c2nnn(C)n2)C1 | 10.1021/jm00050a006 | ||
| 44299477 | 100250 | 0 | None | -95 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 191 | 2 | 0 | 4 | 0.6 | c1cnc(O[C@@H]2CN3CCC2C3)cn1 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL292574 | 100250 | 0 | None | -95 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 191 | 2 | 0 | 4 | 0.6 | c1cnc(O[C@@H]2CN3CCC2C3)cn1 | 10.1016/s0960-894x(99)00313-3 | ||
| 44351296 | 116793 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 382 | 4 | 1 | 2 | 4.4 | CN1C2CCC1CC(=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL339614 | 116793 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 382 | 4 | 1 | 2 | 4.4 | CN1C2CCC1CC(=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| 46889257 | 7447 | 0 | None | -301 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 350 | 5 | 0 | 5 | 3.2 | COc1ccc(Cn2c(N3CC[C@@H](N(C)C)C3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2010.03.027 | ||
| CHEMBL1087367 | 7447 | 0 | None | -301 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 350 | 5 | 0 | 5 | 3.2 | COc1ccc(Cn2c(N3CC[C@@H](N(C)C)C3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2010.03.027 | ||
| 137630891 | 160582 | 0 | None | 1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CCC([N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4085451 | 160582 | 0 | None | 1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CCC([N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117201 | 160582 | 0 | None | 1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CCC([N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| 9921302 | 57416 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 253 | 2 | 1 | 3 | 2.8 | CCc1cc(N)cc(N2CCc3ccccc3C2)n1 | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL166935 | 57416 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 253 | 2 | 1 | 3 | 2.8 | CCc1cc(N)cc(N2CCc3ccccc3C2)n1 | 10.1016/s0960-894x(03)00007-6 | ||
| 44318526 | 106250 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 309 | 6 | 1 | 4 | 2.7 | CCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL314421 | 106250 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 309 | 6 | 1 | 4 | 2.7 | CCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 44318527 | 162764 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 295 | 5 | 1 | 4 | 2.3 | CCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL418933 | 162764 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 295 | 5 | 1 | 4 | 2.3 | CCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 44318774 | 204115 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 255 | 1 | 1 | 5 | 1.0 | COC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL83410 | 204115 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 255 | 1 | 1 | 5 | 1.0 | COC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 155515982 | 169443 | 0 | None | -100000 | 17 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| CHEMBL4442460 | 169443 | 0 | None | -100000 | 17 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 592280 | 160855 | 13 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 181 | 1 | 0 | 3 | 1.0 | COC(=O)C1=CCC2CCC1N2C | 10.1021/jm9705115 | ||
| CHEMBL412663 | 160855 | 13 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 181 | 1 | 0 | 3 | 1.0 | COC(=O)C1=CCC2CCC1N2C | 10.1021/jm9705115 | ||
| 592280 | 160855 | 13 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 181 | 1 | 0 | 3 | 1.0 | COC(=O)C1=CCC2CCC1N2C | 10.1021/jm9705115 | ||
| CHEMBL412663 | 160855 | 13 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 181 | 1 | 0 | 3 | 1.0 | COC(=O)C1=CCC2CCC1N2C | 10.1021/jm9705115 | ||
| 16759249 | 9912 | 1 | None | -9 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| CHEMBL11493 | 9912 | 1 | None | -9 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| 118719925 | 115279 | 0 | None | -33 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354072 | 115279 | 0 | None | -33 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | ||
| 137661377 | 158663 | 0 | None | -478 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4098720 | 158663 | 0 | None | -478 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 11112362 | 4890 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| CHEMBL104804 | 4890 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| 10337773 | 101114 | 0 | None | -63 | 10 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| CHEMBL298612 | 101114 | 0 | None | -63 | 10 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| 9889312 | 78021 | 0 | None | -21 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | -21 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 71459971 | 79129 | 0 | None | -14 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114066 | 79129 | 0 | None | -14 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 71575552 | 85767 | 0 | None | -11 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL2312346 | 85767 | 0 | None | -11 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/acs.jmedchem.2c00192 | ||
| 71575552 | 85767 | 0 | None | -11 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| CHEMBL2312346 | 85767 | 0 | None | -11 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| 422063 | 194403 | 2 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377384 | 194403 | 2 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL560649 | 194403 | 2 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 16091071 | 103008 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 475 | 8 | 2 | 3 | 5.7 | O=C(CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085031 | 103008 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 475 | 8 | 2 | 3 | 5.7 | O=C(CCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1 | 10.1016/j.bmcl.2005.08.111 | ||
| 12071095 | 13312 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 6 | 0 | 2 | 6.6 | Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)cc1 | 10.1021/jm000417f | ||
| CHEMBL1192863 | 13312 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 6 | 0 | 2 | 6.6 | Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)cc1 | 10.1021/jm000417f | ||
| CHEMBL544177 | 13312 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 6 | 0 | 2 | 6.6 | Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)cc1 | 10.1021/jm000417f | ||
| 176155 | 4101 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.7 | C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | nan | ||
| CHEMBL10 | 4101 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.7 | C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | nan | ||
| 24810003 | 168569 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 6 | 0 | 2 | 5.5 | Fc1ccc(C(OC2CC3CCC(C2)N3CC2CC2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL440272 | 168569 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 6 | 0 | 2 | 5.5 | Fc1ccc(C(OC2CC3CCC(C2)N3CC2CC2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| 2247 | 502 | 77 | None | -23 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -23 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -23 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -23 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -23 | 41 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 164620290 | 187958 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4870729 | 187958 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028589 | 187958 | 0 | None | -5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44299564 | 197409 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL58824 | 197409 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 10466611 | 20435 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 235 | 5 | 0 | 5 | 1.6 | CCCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL130842 | 20435 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 235 | 5 | 0 | 5 | 1.6 | CCCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 10718110 | 39675 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 443 | 6 | 2 | 4 | 3.8 | Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1021/jm0003135 | ||
| CHEMBL147778 | 39675 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 443 | 6 | 2 | 4 | 3.8 | Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1021/jm0003135 | ||
| 11794901 | 119078 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL346194 | 119078 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 71128 | 96362 | 18 | None | -10 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL26505 | 96362 | 18 | None | -10 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 10197743 | 12836 | 9 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 92209179 | 12836 | 9 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1189286 | 12836 | 9 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL538467 | 12836 | 9 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 44304818 | 201615 | 0 | None | 1 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64788 | 201615 | 0 | None | 1 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 11532924 | 137854 | 0 | None | -79 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 471 | 4 | 1 | 7 | 4.3 | CN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1 | 10.1021/jm051263c | ||
| CHEMBL377241 | 137854 | 0 | None | -79 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 471 | 4 | 1 | 7 | 4.3 | CN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1 | 10.1021/jm051263c | ||
| 44431370 | 87556 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 360 | 6 | 1 | 4 | 3.2 | CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234254 | 87556 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 360 | 6 | 1 | 4 | 3.2 | CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 25014974 | 186760 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 356 | 3 | 0 | 4 | 2.0 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL493210 | 186760 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 356 | 3 | 0 | 4 | 2.0 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 10375294 | 24180 | 2 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 191 | 2 | 1 | 5 | -0.2 | C#CCn1nnc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL134122 | 24180 | 2 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 191 | 2 | 1 | 5 | -0.2 | C#CCn1nnc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 10012528 | 117951 | 1 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 180 | 2 | 1 | 4 | 0.8 | CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL341193 | 117951 | 1 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 180 | 2 | 1 | 4 | 0.8 | CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 16086005 | 138701 | 0 | None | -218 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 724 | 10 | 3 | 5 | 5.8 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| CHEMBL378859 | 138701 | 0 | None | -218 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 724 | 10 | 3 | 5 | 5.8 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| 44304818 | 201615 | 0 | None | 1 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64788 | 201615 | 0 | None | 1 | 7 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 10035281 | 100513 | 0 | None | -1 | 8 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| CHEMBL294273 | 100513 | 0 | None | -1 | 8 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| 17955480 | 186193 | 1 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 1 | 1 | 3 | 2.5 | Cc1cc(N2CCc3ccccc3C2)cc(N)n1 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL48899 | 186193 | 1 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 1 | 1 | 3 | 2.5 | Cc1cc(N2CCc3ccccc3C2)cc(N)n1 | 10.1016/s0960-894x(03)00232-4 | ||
| 18326767 | 187806 | 1 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 260 | 1 | 0 | 2 | 3.8 | c1ccc2c(c1)CCN(c1ccnc3ccccc13)C2 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL50166 | 187806 | 1 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 260 | 1 | 0 | 2 | 3.8 | c1ccc2c(c1)CCN(c1ccnc3ccccc13)C2 | 10.1016/s0960-894x(03)00232-4 | ||
| 9878065 | 57278 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 1 | 1 | 3 | 2.5 | Cc1cc(N)cc(N2CCc3ccccc3C2)n1 | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL166697 | 57278 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 1 | 1 | 3 | 2.5 | Cc1cc(N)cc(N2CCc3ccccc3C2)n1 | 10.1016/s0960-894x(03)00007-6 | ||
| 10035281 | 100513 | 0 | None | -1 | 8 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| CHEMBL294273 | 100513 | 0 | None | -1 | 8 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| 10313301 | 101569 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 170 | 1 | 1 | 3 | 0.0 | CNC(=O)O[C@@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL301826 | 101569 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 170 | 1 | 1 | 3 | 0.0 | CNC(=O)O[C@@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 10397468 | 188377 | 2 | None | 1 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@H]1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| CHEMBL50831 | 188377 | 2 | None | 1 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@H]1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| 424727 | 160627 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 180 | 3 | 0 | 1 | 1.9 | COc1ccccc1C[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4095774 | 160627 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 180 | 3 | 0 | 1 | 1.9 | COc1ccccc1C[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117601 | 160627 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 180 | 3 | 0 | 1 | 1.9 | COc1ccccc1C[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 71459832 | 83922 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 288 | 2 | 0 | 3 | 2.8 | Cc1ccc(C2SCC(=O)N2C2=CCCN(C)C2)cc1 | 10.1016/j.bmc.2012.03.069 | ||
| CHEMBL2216805 | 83922 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 288 | 2 | 0 | 3 | 2.8 | Cc1ccc(C2SCC(=O)N2C2=CCCN(C)C2)cc1 | 10.1016/j.bmc.2012.03.069 | ||
| 44330229 | 206425 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 506 | 8 | 1 | 5 | 5.3 | CN1C2CCC1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0300375 | ||
| CHEMBL98279 | 206425 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 506 | 8 | 1 | 5 | 5.3 | CN1C2CCC1[C@@H](C(=O)OCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0300375 | ||
| 21855 | 83830 | 35 | None | -16 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL22108 | 83830 | 35 | None | -16 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1016/s0960-894x(01)00186-x | ||
| 36014865 | 182088 | 2 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4789054 | 182088 | 2 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | ||
| 137655636 | 158190 | 0 | None | -123 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4093527 | 158190 | 0 | None | -123 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 109018479 | 181236 | 1 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4778178 | 181236 | 1 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | ||
| 57326146 | 76834 | 0 | None | 1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042403 | 76834 | 0 | None | 1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079020 | 76834 | 0 | None | 1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 44448457 | 11808 | 0 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182638 | 11808 | 0 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257586 | 11808 | 0 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 11057 | 175575 | 19 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 175575 | 19 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 175575 | 19 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 175575 | 19 | None | -1 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 73350398 | 89368 | 0 | None | -10 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 363 | 8 | 0 | 4 | 5.0 | CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377262 | 89368 | 0 | None | -10 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 363 | 8 | 0 | 4 | 5.0 | CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| 1530 | 2151 | 44 | None | -44 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2151 | 44 | None | -44 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2151 | 44 | None | -44 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2151 | 44 | None | -44 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2151 | 44 | None | -44 | 20 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 44457861 | 166389 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 4.9 | CC(C)OC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| CHEMBL428704 | 166389 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 4.9 | CC(C)OC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| 44330391 | 206556 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 4.9 | CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm0300375 | ||
| CHEMBL99038 | 206556 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 4.9 | CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm0300375 | ||
| 44286173 | 143954 | 0 | None | -3 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 194 | 3 | 0 | 2 | 0.6 | CCN(C)CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL39068 | 143954 | 0 | None | -3 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 194 | 3 | 0 | 2 | 0.6 | CCN(C)CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 137636308 | 155661 | 0 | None | -8 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4064222 | 155661 | 0 | None | -8 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 156014875 | 177666 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4640846 | 177666 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650577 | 177666 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44274317 | 82959 | 0 | None | 1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21937 | 82959 | 0 | None | 1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 24894632 | 188830 | 2 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL513277 | 188830 | 2 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | ||
| 9308 | 17572 | 16 | None | -4 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17572 | 16 | None | -4 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17572 | 16 | None | -4 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17572 | 16 | None | -4 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 44340503 | 9620 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 359 | 4 | 1 | 3 | 3.7 | CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@H](O)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL113195 | 9620 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 359 | 4 | 1 | 3 | 3.7 | CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@H](O)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| 939078 | 62740 | 2 | None | 12 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| CHEMBL1788286 | 62740 | 2 | None | 12 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| 10333745 | 19527 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 277 | 8 | 0 | 5 | 2.8 | CCCCCCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL130111 | 19527 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 277 | 8 | 0 | 5 | 2.8 | CCCCCCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 9308 | 17572 | 16 | None | -4 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17572 | 16 | None | -4 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17572 | 16 | None | -4 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17572 | 16 | None | -4 | 7 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 10082239 | 23686 | 5 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 221 | 3 | 0 | 5 | 1.2 | CCn1nnc(C2=CCCN(C(C)C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL133680 | 23686 | 5 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 221 | 3 | 0 | 5 | 1.2 | CCn1nnc(C2=CCCN(C(C)C)C2)n1 | 10.1021/jm00050a006 | ||
| 10421982 | 204322 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| CHEMBL85190 | 204322 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| 16086000 | 79946 | 0 | None | -524 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 676 | 9 | 2 | 5 | 4.2 | CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| CHEMBL214342 | 79946 | 0 | None | -524 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 676 | 9 | 2 | 5 | 4.2 | CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| 71575551 | 85782 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 3.9 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C | 10.1021/jm301774u | ||
| CHEMBL2312371 | 85782 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 3.9 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C | 10.1021/jm301774u | ||
| 71574174 | 85711 | 0 | None | -8 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 399 | 7 | 0 | 5 | 3.7 | COc1ccc(CCOC(=O)C2=C(c3cccc(F)c3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| CHEMBL2311547 | 85711 | 0 | None | -8 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 399 | 7 | 0 | 5 | 3.7 | COc1ccc(CCOC(=O)C2=C(c3cccc(F)c3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| 44576434 | 186977 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 1.3 | CN1CCC=C(C2CN(S(=O)(=O)c3ccccc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL494568 | 186977 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 1.3 | CN1CCC=C(C2CN(S(=O)(=O)c3ccccc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 44318929 | 106379 | 0 | None | -16 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| CHEMBL314493 | 106379 | 0 | None | -16 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| 72064 | 77994 | 9 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2110892 | 77994 | 9 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 45273833 | 194215 | 0 | None | -977 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 5 | 0 | 4 | 5.5 | CN(C1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| CHEMBL558933 | 194215 | 0 | None | -977 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 5 | 0 | 4 | 5.5 | CN(C1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| 162658421 | 180519 | 0 | None | -5 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760150 | 180519 | 0 | None | -5 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 71456285 | 79185 | 0 | None | -1 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 220 | 2 | 1 | 2 | 1.1 | O=C1CCCN1CC#CC[C@@H]1CCCCN1 | 10.1021/jm00087a008 | ||
| CHEMBL2114426 | 79185 | 0 | None | -1 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 220 | 2 | 1 | 2 | 1.1 | O=C1CCCN1CC#CC[C@@H]1CCCCN1 | 10.1021/jm00087a008 | ||
| 44337776 | 110702 | 0 | None | 1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 273 | 3 | 0 | 3 | 3.2 | CC(=O)O[C@H]1CC2CC(C1)N(C(C)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL326453 | 110702 | 0 | None | 1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 273 | 3 | 0 | 3 | 3.2 | CC(=O)O[C@H]1CC2CC(C1)N(C(C)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 12066263 | 16378 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 7 | 0 | 2 | 5.6 | C=CCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| CHEMBL12377 | 16378 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 7 | 0 | 2 | 5.6 | C=CCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| 14939894 | 10199 | 0 | None | -16 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 742 | 28 | 3 | 8 | 8.0 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL116172 | 10199 | 0 | None | -16 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 742 | 28 | 3 | 8 | 8.0 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 129989 | 447 | 41 | None | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 8584 | 447 | 41 | None | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL43383 | 447 | 41 | None | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 155525691 | 170464 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4456775 | 170464 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 2389 | 3279 | 114 | None | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmc.2008.06.030 | ||
| 5073 | 3279 | 114 | None | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmc.2008.06.030 | ||
| 96 | 3279 | 114 | None | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmc.2008.06.030 | ||
| CHEMBL85 | 3279 | 114 | None | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmc.2008.06.030 | ||
| DB00734 | 3279 | 114 | None | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 10.1016/j.bmc.2008.06.030 | ||
| 46888857 | 8624 | 0 | None | -3162 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2011.10.115 | ||
| CHEMBL1095819 | 8624 | 0 | None | -3162 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2011.10.115 | ||
| 10105296 | 204206 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| CHEMBL84113 | 204206 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| 44318712 | 204387 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 267 | 2 | 1 | 4 | 1.4 | CC(C)C(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL85729 | 204387 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 267 | 2 | 1 | 4 | 1.4 | CC(C)C(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 11659592 | 8059 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C[C@H](c1cccnc1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| CHEMBL1091777 | 8059 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C[C@H](c1cccnc1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| 164614994 | 187918 | 0 | None | -23 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4850553 | 187918 | 0 | None | -23 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028287 | 187918 | 0 | None | -23 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 118719928 | 115282 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115282 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 44274400 | 98481 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL279520 | 98481 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 162353377 | 180583 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760904 | 180583 | 0 | None | -7 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 15050946 | 102173 | 0 | None | -1 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.5 | CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| CHEMBL304391 | 102173 | 0 | None | -1 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.5 | CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| 191 | 399 | 92 | None | -32 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -32 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -32 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -32 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -32 | 28 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 9844271 | 130160 | 1 | None | -17 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 333 | 1 | 0 | 4 | 3.6 | CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm010982y | ||
| CHEMBL368324 | 130160 | 1 | None | -17 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 333 | 1 | 0 | 4 | 3.6 | CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm010982y | ||
| 9844271 | 130160 | 1 | None | -17 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 333 | 1 | 0 | 4 | 3.6 | CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm0309811 | ||
| CHEMBL368324 | 130160 | 1 | None | -17 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 333 | 1 | 0 | 4 | 3.6 | CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm0309811 | ||
| 164621361 | 187968 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 775 | 17 | 11 | 10 | -0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4865137 | 187968 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 775 | 17 | 11 | 10 | -0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028648 | 187968 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 775 | 17 | 11 | 10 | -0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 54816802 | 180690 | 2 | None | -6 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4762056 | 180690 | 2 | None | -6 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 108993425 | 181176 | 1 | None | -7 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4777543 | 181176 | 1 | None | -7 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 137642607 | 157972 | 0 | None | -1479 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4091231 | 157972 | 0 | None | -1479 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44318736 | 106538 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| CHEMBL315428 | 106538 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| 10672532 | 105978 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 358 | 4 | 0 | 1 | 4.8 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| CHEMBL3084641 | 105978 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 358 | 4 | 0 | 1 | 4.8 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| CHEMBL3140090 | 105978 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 358 | 4 | 0 | 1 | 4.8 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| 11651029 | 11845 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 946 | 21 | 3 | 10 | 7.2 | CCN1/C(=C/C=C/c2ccc3cc(NC(=O)CCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)ccc3[n+]2CC)C=Cc2ccccc21 | 10.1021/jm050459+ | ||
| 73042496 | 11845 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 946 | 21 | 3 | 10 | 7.2 | CCN1/C(=C/C=C/c2ccc3cc(NC(=O)CCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)ccc3[n+]2CC)C=Cc2ccccc21 | 10.1021/jm050459+ | ||
| CHEMBL1182839 | 11845 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 946 | 21 | 3 | 10 | 7.2 | CCN1/C(=C/C=C/c2ccc3cc(NC(=O)CCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)ccc3[n+]2CC)C=Cc2ccccc21 | 10.1021/jm050459+ | ||
| CHEMBL269117 | 11845 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 946 | 21 | 3 | 10 | 7.2 | CCN1/C(=C/C=C/c2ccc3cc(NC(=O)CCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)ccc3[n+]2CC)C=Cc2ccccc21 | 10.1021/jm050459+ | ||
| 164610746 | 187883 | 0 | None | -75 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854886 | 187883 | 0 | None | -75 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028038 | 187883 | 0 | None | -75 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 118719931 | 115285 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 669 | 18 | 0 | 4 | 8.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354078 | 115285 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 669 | 18 | 0 | 4 | 8.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 | 10.1021/jm501173q | ||
| 44593623 | 187297 | 0 | None | 2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496503 | 187297 | 0 | None | 2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539373 | 187297 | 0 | None | 2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 14964496 | 8876 | 0 | None | -1 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL109815 | 8876 | 0 | None | -1 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 11819882 | 17261 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 191 | 1 | 0 | 2 | 2.8 | C1=C(c2cccs2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL125764 | 17261 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 191 | 1 | 0 | 2 | 2.8 | C1=C(c2cccs2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 71575447 | 85775 | 0 | None | -4 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312361 | 85775 | 0 | None | -4 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 6338102 | 99999 | 1 | None | -20 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL290723 | 99999 | 1 | None | -20 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL59587 | 99999 | 1 | None | -20 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| 21862266 | 141481 | 0 | None | 3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@H]1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL38756 | 141481 | 0 | None | 3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@H]1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 137628855 | 160423 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 206 | 1 | 1 | 1 | 2.0 | C[N+](C)(C)C1CCc2cccc(O)c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4103087 | 160423 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 206 | 1 | 1 | 1 | 2.0 | C[N+](C)(C)C1CCc2cccc(O)c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115966 | 160423 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 206 | 1 | 1 | 1 | 2.0 | C[N+](C)(C)C1CCc2cccc(O)c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 46861860 | 7410 | 0 | None | -5754 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2011.10.115 | ||
| CHEMBL1087089 | 7410 | 0 | None | -5754 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 323 | 3 | 0 | 3 | 4.0 | CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2011.10.115 | ||
| 2230 | 461 | 55 | None | -89 | 10 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| 296 | 461 | 55 | None | -89 | 10 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| CHEMBL7303 | 461 | 55 | None | -89 | 10 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| DB04365 | 461 | 55 | None | -89 | 10 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| 122194378 | 123492 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 382 | 7 | 1 | 4 | 3.6 | COc1ccc(CCOC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629537 | 123492 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 382 | 7 | 1 | 4 | 3.6 | COc1ccc(CCOC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 44213238 | 193275 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCOc1nccnc1SC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL54219 | 193275 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCOc1nccnc1SC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 164623185 | 187985 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 407 | 4 | 3 | 5 | 1.5 | NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4864101 | 187985 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 407 | 4 | 3 | 5 | 1.5 | NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028743 | 187985 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 407 | 4 | 3 | 5 | 1.5 | NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44448538 | 12313 | 0 | None | 1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185855 | 12313 | 0 | None | 1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL436850 | 12313 | 0 | None | 1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 44274477 | 165016 | 0 | None | 1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.8 | CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL424214 | 165016 | 0 | None | 1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.8 | CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1 | 10.1016/s0960-894x(01)00186-x | ||
| 2230 | 461 | 55 | None | -89 | 10 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 296 | 461 | 55 | None | -89 | 10 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL7303 | 461 | 55 | None | -89 | 10 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| DB04365 | 461 | 55 | None | -89 | 10 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 15157141 | 92369 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 373 | 11 | 0 | 3 | 5.6 | CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL24369 | 92369 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 373 | 11 | 0 | 3 | 5.6 | CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 10767897 | 102986 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 10 | 0 | 4 | 7.0 | O=[N+]([O-])c1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm990265s | ||
| CHEMBL3084934 | 102986 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 10 | 0 | 4 | 7.0 | O=[N+]([O-])c1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm990265s | ||
| 15888010 | 202149 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 3 | 2.3 | NC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL68584 | 202149 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 2 | 3 | 2.3 | NC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 135525247 | 98747 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 5 | 2 | 5 | 3.6 | Cc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1O | 10.1021/jm030480f | ||
| CHEMBL281456 | 98747 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 5 | 2 | 5 | 3.6 | Cc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1O | 10.1021/jm030480f | ||
| 15050960 | 101857 | 0 | None | 4 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 548 | 15 | 1 | 6 | 5.4 | CCN(CC)CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL303622 | 101857 | 0 | None | 4 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 548 | 15 | 1 | 6 | 5.4 | CCN(CC)CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 44593625 | 187547 | 0 | None | 1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498358 | 187547 | 0 | None | 1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539120 | 187547 | 0 | None | 1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 156014820 | 177730 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4646116 | 177730 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4650998 | 177730 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 11610557 | 71687 | 0 | None | 8 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1CC(O)c2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL197588 | 71687 | 0 | None | 8 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1CC(O)c2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| 155554568 | 176035 | 0 | None | -7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4548432 | 176035 | 0 | None | -7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597724 | 176035 | 0 | None | -7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10670917 | 164512 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 6 | 3 | 4 | 3.7 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL422665 | 164512 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 6 | 3 | 4 | 3.7 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| 156018620 | 177332 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 396 | 4 | 2 | 3 | 5.3 | O=C(Nc1ccc(F)cc1-c1cc(Cl)cc(Cl)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4644999 | 177332 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 396 | 4 | 2 | 3 | 5.3 | O=C(Nc1ccc(F)cc1-c1cc(Cl)cc(Cl)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 15050961 | 202125 | 0 | None | 6 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 612 | 16 | 2 | 7 | 5.8 | COc1ccccc1CNCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL68446 | 202125 | 0 | None | 6 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 612 | 16 | 2 | 7 | 5.8 | COc1ccccc1CNCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 2286 | 3134 | 48 | None | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3134 | 48 | None | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3134 | 48 | None | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3134 | 48 | None | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3134 | 48 | None | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 2230 | 461 | 55 | None | 75 | 10 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| 296 | 461 | 55 | None | 75 | 10 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| CHEMBL7303 | 461 | 55 | None | 75 | 10 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| DB04365 | 461 | 55 | None | 75 | 10 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| 16115950 | 135859 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL373515 | 135859 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 5284632 | 67065 | 8 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL1888176 | 67065 | 8 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL3084748 | 67065 | 8 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156015287 | 177001 | 0 | None | -3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 4.3 | O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4640544 | 177001 | 0 | None | -3 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 4.3 | O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 10525412 | 41730 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1ccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1 | 10.1021/jm0003135 | ||
| CHEMBL149486 | 41730 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1ccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1 | 10.1021/jm0003135 | ||
| 10646906 | 118728 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 6 | 3 | 4 | 3.7 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1 | 10.1021/jm0003135 | ||
| CHEMBL343449 | 118728 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 6 | 3 | 4 | 3.7 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1 | 10.1021/jm0003135 | ||
| 132947 | 3803 | 8 | None | -37 | 9 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | ||
| 361 | 3803 | 8 | None | -37 | 9 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | ||
| CHEMBL265256 | 3803 | 8 | None | -37 | 9 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | ||
| 132947 | 3803 | 8 | None | -7 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/j.bmc.2008.06.025 | ||
| 361 | 3803 | 8 | None | -7 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL265256 | 3803 | 8 | None | -7 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/j.bmc.2008.06.025 | ||
| 1687 | 103930 | 15 | None | 15 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL310310 | 103930 | 15 | None | 15 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL540034 | 103930 | 15 | None | 15 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| 10340096 | 102958 | 0 | None | 10 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 385 | 4 | 0 | 2 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Br)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084882 | 102958 | 0 | None | 10 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 385 | 4 | 0 | 2 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Br)cc1)C2 | 10.1021/jm00020a006 | ||
| 164627445 | 188022 | 0 | None | -17 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4876453 | 188022 | 0 | None | -17 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028997 | 188022 | 0 | None | -17 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164628352 | 188028 | 0 | None | -13 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 630 | 13 | 5 | 6 | 4.0 | N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4878717 | 188028 | 0 | None | -13 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 630 | 13 | 5 | 6 | 4.0 | N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029051 | 188028 | 0 | None | -13 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 630 | 13 | 5 | 6 | 4.0 | N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11718570 | 71858 | 0 | None | 8 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1Cc1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL198065 | 71858 | 0 | None | 8 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1Cc1ccccc1 | 10.1021/jm050099q | ||
| 277 | 1274 | 55 | None | -8 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1274 | 55 | None | -8 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1274 | 55 | None | -8 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1274 | 55 | None | -8 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1274 | 55 | None | -8 | 45 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 372625 | 100678 | 10 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL295388 | 100678 | 10 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 372625 | 100678 | 10 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1039/d0md00137f | ||
| CHEMBL295388 | 100678 | 10 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1039/d0md00137f | ||
| 372625 | 100678 | 10 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL295388 | 100678 | 10 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10226457 | 12866 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1189471 | 12866 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL538793 | 12866 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 44213239 | 100988 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 8 | 0 | 5 | 3.9 | CCCCCCSc1nccnc1SC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL297690 | 100988 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 323 | 8 | 0 | 5 | 3.9 | CCCCCCSc1nccnc1SC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 44213237 | 101451 | 0 | None | 16 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL300998 | 101451 | 0 | None | 16 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 44308910 | 202047 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 324 | 3 | 2 | 3 | 1.7 | O=C(N1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL67814 | 202047 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 324 | 3 | 2 | 3 | 1.7 | O=C(N1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 155554149 | 174874 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 3.7 | O=C(OCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4576768 | 174874 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 3.7 | O=C(OCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 44385509 | 60737 | 10 | None | 3 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 4 | 0 | 3 | 1.6 | CCN(CC)CC#CCN1C(=O)c2ccccc2C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL176400 | 60737 | 10 | None | 3 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 270 | 4 | 0 | 3 | 1.6 | CCN(CC)CC#CCN1C(=O)c2ccccc2C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| 10058674 | 116358 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 202 | 2 | 1 | 4 | 0.5 | C#CCn1ncc(C2=CC(C)CNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL338122 | 116358 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 202 | 2 | 1 | 4 | 0.5 | C#CCn1ncc(C2=CC(C)CNC2)n1 | 10.1021/jm00050a006 | ||
| 155559741 | 175713 | 0 | None | -16 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4562770 | 175713 | 0 | None | -16 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595125 | 175713 | 0 | None | -16 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 119357 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 3264 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 368 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL279453 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 44457719 | 13144 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 180 | 3 | 1 | 4 | -0.2 | C#CCCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1191455 | 13144 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 180 | 3 | 1 | 4 | -0.2 | C#CCCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL542559 | 13144 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 180 | 3 | 1 | 4 | -0.2 | C#CCCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 119357 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 3264 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 368 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL279453 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 156015141 | 177692 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4642045 | 177692 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650774 | 177692 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 44385809 | 61137 | 0 | None | -91 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL177040 | 61137 | 0 | None | -91 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 15196234 | 118000 | 3 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 175 | 1 | 0 | 2 | 2.3 | C1=C(c2ccco2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL341476 | 118000 | 3 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 175 | 1 | 0 | 2 | 2.3 | C1=C(c2ccco2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 155565074 | 174912 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 6 | 0 | 3 | 4.6 | O=C(OCCCc1ccc(F)c(F)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4577453 | 174912 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 6 | 0 | 3 | 4.6 | O=C(OCCCc1ccc(F)c(F)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 16085999 | 79882 | 0 | None | -630 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 4.3 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL214029 | 79882 | 0 | None | -630 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 4.3 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 16086060 | 168377 | 0 | None | -776 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL438822 | 168377 | 0 | None | -776 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 44318826 | 204408 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 321 | 3 | 1 | 4 | 2.7 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CC1CCCCC1 | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL85953 | 204408 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 321 | 3 | 1 | 4 | 2.7 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CC1CCCCC1 | 10.1016/0960-894X(96)00471-4 | ||
| 44318599 | 204414 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 315 | 3 | 1 | 4 | 2.0 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)Cc1ccccc1 | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL85999 | 204414 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 315 | 3 | 1 | 4 | 2.0 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)Cc1ccccc1 | 10.1016/0960-894X(96)00471-4 | ||
| 14685518 | 118886 | 1 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 193 | 1 | 1 | 3 | 1.2 | OC1(c2ccco2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL344568 | 118886 | 1 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 193 | 1 | 1 | 3 | 1.2 | OC1(c2ccco2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 24865895 | 95559 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL259662 | 95559 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL390842 | 95559 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| 44422692 | 11748 | 0 | None | -9 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182296 | 11748 | 0 | None | -9 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL228144 | 11748 | 0 | None | -9 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 24865895 | 95559 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL259662 | 95559 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL390842 | 95559 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| 24865895 | 95559 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL259662 | 95559 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL390842 | 95559 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| 18756317 | 82808 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| CHEMBL21859 | 82808 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| 155525065 | 175980 | 0 | None | -13 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4456524 | 175980 | 0 | None | -13 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597243 | 175980 | 0 | None | -13 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 109014373 | 179222 | 1 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4744856 | 179222 | 1 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 71460014 | 79276 | 0 | None | -4 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 220 | 2 | 1 | 2 | 1.1 | O=C1CCCN1CC#CC[C@H]1CCCCN1 | 10.1021/jm00087a008 | ||
| CHEMBL2115360 | 79276 | 0 | None | -4 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 220 | 2 | 1 | 2 | 1.1 | O=C1CCCN1CC#CC[C@H]1CCCCN1 | 10.1021/jm00087a008 | ||
| 44383064 | 119801 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 4 | 0 | 3 | 4.8 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCc4ccccc4C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL352756 | 119801 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 4 | 0 | 3 | 4.8 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCc4ccccc4C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 76335149 | 105900 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 479 | 7 | 0 | 2 | 8.3 | CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3084623 | 105900 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 479 | 7 | 0 | 2 | 8.3 | CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3139321 | 105900 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 479 | 7 | 0 | 2 | 8.3 | CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| 71575026 | 85795 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312388 | 85795 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 44417403 | 81763 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 447 | 6 | 0 | 4 | 5.5 | CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C | 10.1021/jm060762q | ||
| CHEMBL217022 | 81763 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 447 | 6 | 0 | 4 | 5.5 | CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C | 10.1021/jm060762q | ||
| 71449188 | 79275 | 0 | None | -1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 0.8 | O=C1CCCN1CC#CC[C@H]1CCCN1 | 10.1021/jm00087a008 | ||
| CHEMBL2115359 | 79275 | 0 | None | -1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 0.8 | O=C1CCCN1CC#CC[C@H]1CCCN1 | 10.1021/jm00087a008 | ||
| 15678857 | 202334 | 0 | None | -1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 6 | 2 | 6 | 1.7 | NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL69796 | 202334 | 0 | None | -1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 6 | 2 | 6 | 1.7 | NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 156015809 | 177743 | 0 | None | -15 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4645019 | 177743 | 0 | None | -15 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651096 | 177743 | 0 | None | -15 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10139614 | 4962 | 0 | None | -218 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.9 | CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105160 | 4962 | 0 | None | -218 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.9 | CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 24894625 | 9686 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL113580 | 9686 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL553155 | 9686 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 44431380 | 87557 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 318 | 5 | 1 | 4 | 2.9 | CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234257 | 87557 | 0 | None | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 318 | 5 | 1 | 4 | 2.9 | CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 10225340 | 202631 | 0 | None | -10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 4.8 | COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71531 | 202631 | 0 | None | -10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 4.8 | COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 9984928 | 202977 | 0 | None | -199 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 8 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)C(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL73893 | 202977 | 0 | None | -199 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 8 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)C(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 10830843 | 202265 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 4 | 3 | 3 | 2.2 | O=C(NC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69383 | 202265 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 338 | 4 | 3 | 3 | 2.2 | O=C(NC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 25147650 | 178037 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 3.0 | CN1CCC=C(C2CN(C(=S)Nc3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL467376 | 178037 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 3.0 | CN1CCC=C(C2CN(C(=S)Nc3ccc(Cl)cc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 68617 | 203816 | 60 | None | -25 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 203816 | 60 | None | -25 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 203816 | 60 | None | -25 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 2166 | 3074 | 46 | None | -218 | 8 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| 305 | 3074 | 46 | None | -218 | 8 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| 5910 | 3074 | 46 | None | -218 | 8 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| CHEMBL550 | 3074 | 46 | None | -218 | 8 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| DB01085 | 3074 | 46 | None | -218 | 8 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| 44577947 | 171306 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 385 | 2 | 1 | 3 | 3.7 | CN1CCC=C(C2CN(C(=S)Nc3ccc(Cl)cc3Cl)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL446925 | 171306 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 385 | 2 | 1 | 3 | 3.7 | CN1CCC=C(C2CN(C(=S)Nc3ccc(Cl)cc3Cl)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 44313166 | 102627 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 7 | 0 | 5 | 4.0 | O=C(OCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL307628 | 102627 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 7 | 0 | 5 | 4.0 | O=C(OCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| 16045715 | 140967 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 429 | 7 | 0 | 4 | 4.9 | COC(=O)CC[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| CHEMBL384482 | 140967 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 429 | 7 | 0 | 4 | 4.9 | COC(=O)CC[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C | 10.1021/jm060762q | ||
| 44383352 | 59380 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.7 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(N4CCCCC4)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL172272 | 59380 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.7 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(N4CCCCC4)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 44267819 | 15588 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 447 | 8 | 0 | 2 | 6.7 | Fc1ccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL12227 | 15588 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 447 | 8 | 0 | 2 | 6.7 | Fc1ccc(C(OC2CC3CCC(C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| 71457691 | 83385 | 0 | None | 1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205823 | 83385 | 0 | None | 1 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 9996581 | 165472 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 2 | 0 | 3 | 3.7 | COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C | 10.1021/jm0300375 | ||
| CHEMBL42553 | 165472 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 2 | 0 | 3 | 3.7 | COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C | 10.1021/jm0300375 | ||
| 5281825 | 107062 | 11 | None | -1 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00566-8 | ||
| CHEMBL318849 | 107062 | 11 | None | -1 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00566-8 | ||
| 44329347 | 206348 | 0 | None | -1 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)N1C | 10.1016/s0960-894x(02)00566-8 | ||
| CHEMBL97765 | 206348 | 0 | None | -1 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)N1C | 10.1016/s0960-894x(02)00566-8 | ||
| 10651844 | 114990 | 0 | None | -32 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL335115 | 114990 | 0 | None | -32 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 10030021 | 169312 | 8 | None | -39 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4440484 | 169312 | 8 | None | -39 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10236758 | 115272 | 3 | None | -323 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -323 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 16094791 | 82844 | 0 | None | -7 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL218755 | 82844 | 0 | None | -7 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 44291186 | 12803 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 445 | 6 | 0 | 2 | 7.0 | Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL1189058 | 12803 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 445 | 6 | 0 | 2 | 7.0 | Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL537994 | 12803 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 445 | 6 | 0 | 2 | 7.0 | Cc1ccc(C2CC3CCC([C@H]2COC(c2ccccc2)c2ccc(Cl)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| 127041951 | 137552 | 0 | None | -10 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 417 | 7 | 0 | 8 | 3.5 | Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(F)cc3)C2)n1C | 10.1016/j.bmcl.2015.12.081 | ||
| CHEMBL3765754 | 137552 | 0 | None | -10 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 417 | 7 | 0 | 8 | 3.5 | Cc1ncoc1-c1nnc(SCCCN2CCOC(c3ccc(F)cc3)C2)n1C | 10.1016/j.bmcl.2015.12.081 | ||
| 156015465 | 177749 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4640926 | 177749 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651115 | 177749 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 71452382 | 83380 | 0 | None | 6 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205812 | 83380 | 0 | None | 6 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 5282593 | 54972 | 25 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1319362 | 54972 | 25 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1618018 | 54972 | 25 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| 10851461 | 58203 | 35 | None | -1 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 296 | 3 | 2 | 3 | 3.7 | O=C(Nc1ccccc1-c1ccccc1)OC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL1683908 | 58203 | 35 | None | -1 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 296 | 3 | 2 | 3 | 3.7 | O=C(Nc1ccccc1-c1ccccc1)OC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 10399826 | 98342 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 249 | 6 | 0 | 5 | 2.0 | CCCCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL278422 | 98342 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 249 | 6 | 0 | 5 | 2.0 | CCCCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 44383653 | 120338 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL355854 | 120338 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 155560013 | 175726 | 0 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4564922 | 175726 | 0 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595198 | 175726 | 0 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44417423 | 82020 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 457 | 9 | 0 | 4 | 5.7 | CCCCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| CHEMBL217456 | 82020 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 457 | 9 | 0 | 4 | 5.7 | CCCCN1C2CCC1[C@@H](C(=O)OCC)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| 44612793 | 197125 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 254 | 4 | 0 | 3 | 2.0 | CCCCN1C(=O)CSC1C1=CCCN(C)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| CHEMBL583386 | 197125 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 254 | 4 | 0 | 3 | 2.0 | CCCCN1C(=O)CSC1C1=CCCN(C)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| 9937474 | 169902 | 0 | None | -1621 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4448933 | 169902 | 0 | None | -1621 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44593622 | 187213 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL495888 | 187213 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL556390 | 187213 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10315426 | 100579 | 0 | None | -10 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL294663 | 100579 | 0 | None | -10 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 44299599 | 167242 | 0 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL430587 | 167242 | 0 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 9906447 | 193904 | 1 | None | -4466 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL2031738 | 193904 | 1 | None | -4466 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL555146 | 193904 | 1 | None | -4466 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| 11213696 | 102998 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 6.1 | O=C(CCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1 | 10.1021/jm030646c | ||
| CHEMBL3085020 | 102998 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 6.1 | O=C(CCN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)Nc1ccccc1 | 10.1021/jm030646c | ||
| 10838186 | 103000 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 472 | 7 | 1 | 2 | 6.8 | Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL3085022 | 103000 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 472 | 7 | 1 | 2 | 6.8 | Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| 71575027 | 85796 | 0 | None | -7 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312389 | 85796 | 0 | None | -7 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 10408304 | 102969 | 0 | None | 11 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 393 | 4 | 0 | 2 | 5.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084896 | 102969 | 0 | None | 11 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 393 | 4 | 0 | 2 | 5.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)C2 | 10.1021/jm00020a006 | ||
| 164619081 | 187952 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872720 | 187952 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028531 | 187952 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44311716 | 164580 | 0 | None | -22 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 594 | 9 | 0 | 6 | 5.2 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL422770 | 164580 | 0 | None | -22 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 594 | 9 | 0 | 6 | 5.2 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 137631178 | 160657 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | COc1cccc(CCC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4081662 | 160657 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | COc1cccc(CCC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117768 | 160657 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | COc1cccc(CCC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 71575550 | 85781 | 0 | None | -4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 3.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312370 | 85781 | 0 | None | -4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 3.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1 | 10.1021/jm301774u | ||
| 44328540 | 206047 | 0 | None | 4 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 245 | 3 | 1 | 3 | 2.3 | COc1ccccc1C(O)C1=CN2CCC1CC2 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL96042 | 206047 | 0 | None | 4 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 245 | 3 | 1 | 3 | 2.3 | COc1ccccc1C(O)C1=CN2CCC1CC2 | 10.1016/S0960-894X(01)80824-6 | ||
| 15050941 | 201972 | 0 | None | -1 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.1 | O=C1Nc2cccnc2N(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL67381 | 201972 | 0 | None | -1 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.1 | O=C1Nc2cccnc2N(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 170332 | 160429 | 1 | None | -3 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -3 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -3 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 11034265 | 119867 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 310 | 5 | 0 | 2 | 4.3 | CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL353290 | 119867 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 310 | 5 | 0 | 2 | 4.3 | CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44627958 | 13922 | 0 | None | 1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197374 | 13922 | 0 | None | 1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569089 | 13922 | 0 | None | 1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 9911615 | 98574 | 0 | None | -1659 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | ||
| CHEMBL280220 | 98574 | 0 | None | -1659 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | ||
| 162353378 | 182329 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4792360 | 182329 | 0 | None | -5 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 24894631 | 176190 | 3 | None | 1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL460470 | 176190 | 3 | None | 1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | ||
| 1210 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 905 | 45 | None | -63 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 44341910 | 110825 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 4.1 | OCCOCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| CHEMBL326706 | 110825 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 4.1 | OCCOCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| 76327882 | 105872 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 445 | 7 | 0 | 2 | 7.6 | CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2cccc(Cl)c2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3084621 | 105872 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 445 | 7 | 0 | 2 | 7.6 | CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2cccc(Cl)c2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3139206 | 105872 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 445 | 7 | 0 | 2 | 7.6 | CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccccc2)c2cccc(Cl)c2)C3)c1 | 10.1021/jm000417f | ||
| 44437259 | 11774 | 0 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.0 | C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182448 | 11774 | 0 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.0 | C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239038 | 11774 | 0 | None | -2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.0 | C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 10466231 | 35846 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 225 | 1 | 0 | 2 | 3.5 | C1=C(c2coc3ccccc23)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144385 | 35846 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 225 | 1 | 0 | 2 | 3.5 | C1=C(c2coc3ccccc23)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 2733638 | 11809 | 2 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 6508731 | 11809 | 2 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 8030329 | 11809 | 2 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL1182640 | 11809 | 2 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL257643 | 11809 | 2 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 138710710 | 176471 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 362 | 4 | 2 | 3 | 4.7 | O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4632545 | 176471 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 362 | 4 | 2 | 3 | 4.7 | O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 156014558 | 176650 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 4 | 2 | 3 | 4.6 | O=C(Nc1ccccc1-c1ccc(Cl)cc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4635566 | 176650 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 4 | 2 | 3 | 4.6 | O=C(Nc1ccccc1-c1ccc(Cl)cc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 11808040 | 167831 | 0 | None | -2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.8 | CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL434684 | 167831 | 0 | None | -2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.8 | CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 401890 | 17899 | 1 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 334 | 6 | 1 | 2 | 4.6 | CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL126735 | 17899 | 1 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 334 | 6 | 1 | 2 | 4.6 | CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| 71575453 | 85778 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.3 | CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| CHEMBL2312367 | 85778 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.3 | CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| 10623721 | 38116 | 0 | None | -16 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 457 | 7 | 3 | 4 | 3.5 | NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL146307 | 38116 | 0 | None | -16 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 457 | 7 | 3 | 4 | 3.5 | NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| 57397056 | 69373 | 0 | None | -263 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 327 | 3 | 1 | 4 | 3.6 | Fc1ccc(Cn2c([C@H]3CNCCS3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| CHEMBL1935446 | 69373 | 0 | None | -263 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 327 | 3 | 1 | 4 | 3.6 | Fc1ccc(Cn2c([C@H]3CNCCS3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| 44318582 | 204209 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 343 | 5 | 1 | 4 | 2.8 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCc1ccccc1 | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL84135 | 204209 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 343 | 5 | 1 | 4 | 2.8 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCc1ccccc1 | 10.1016/0960-894X(96)00471-4 | ||
| 44383595 | 165562 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 5 | 0 | 3 | 5.0 | CCC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL426032 | 165562 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 5 | 0 | 3 | 5.0 | CCC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 | 10.1016/s0960-894x(99)00101-8 | ||
| 68764898 | 665 | 1 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 9430 | 665 | 1 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| CHEMBL3577945 | 665 | 1 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 16045793 | 81867 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 534 | 10 | 1 | 5 | 6.1 | CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| CHEMBL217160 | 81867 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 534 | 10 | 1 | 5 | 6.1 | CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| 135 | 2496 | 38 | None | -24 | 57 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2496 | 38 | None | -24 | 57 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2496 | 38 | None | -24 | 57 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2496 | 38 | None | -24 | 57 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2496 | 38 | None | -24 | 57 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 122194376 | 123373 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 366 | 7 | 1 | 3 | 3.4 | COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3627739 | 123373 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 366 | 7 | 1 | 3 | 3.4 | COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 10925451 | 58464 | 0 | None | 1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL168707 | 58464 | 0 | None | 1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| 156015895 | 177706 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4643290 | 177706 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650874 | 177706 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 71450878 | 78296 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 491 | 8 | 0 | 4 | 5.7 | CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCCc1ccccc1)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL2112514 | 78296 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 491 | 8 | 0 | 4 | 5.7 | CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)OCCc1ccccc1)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| 9976807 | 102960 | 0 | None | 5 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084884 | 102960 | 0 | None | 5 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| 43815 | 186337 | 58 | None | -9 | 24 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186337 | 58 | None | -9 | 24 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186337 | 58 | None | -9 | 24 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 10442260 | 19283 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 178 | 1 | 0 | 4 | 0.5 | CN1CCC=C(c2cnn(C)n2)C1 | 10.1021/jm00050a006 | ||
| CHEMBL129886 | 19283 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 178 | 1 | 0 | 4 | 0.5 | CN1CCC=C(c2cnn(C)n2)C1 | 10.1021/jm00050a006 | ||
| 57326325 | 76831 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042554 | 76831 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078987 | 76831 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 44627739 | 196695 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL576663 | 196695 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 57326325 | 76831 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2042554 | 76831 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2078987 | 76831 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 511332 | 109140 | 4 | None | -48 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL322251 | 109140 | 4 | None | -48 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 10104167 | 2028 | 1 | None | -95 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 6937 | 2028 | 1 | None | -95 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL3121473 | 2028 | 1 | None | -95 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 155553089 | 173533 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4545030 | 173533 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 46884735 | 7891 | 0 | None | -11481 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 5 | 0 | 3 | 4.3 | C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc21)c1nccs1 | 10.1016/j.bmcl.2010.02.055 | ||
| CHEMBL1090527 | 7891 | 0 | None | -11481 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 5 | 0 | 3 | 4.3 | C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc21)c1nccs1 | 10.1016/j.bmcl.2010.02.055 | ||
| 44576433 | 187146 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 2.6 | CN1CCC=C(C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL495409 | 187146 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 2.6 | CN1CCC=C(C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 44382880 | 120247 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 3.5 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C(C)CN1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL355193 | 120247 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 3.5 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C(C)CN1 | 10.1016/s0960-894x(99)00101-8 | ||
| 44330144 | 206005 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 491 | 8 | 0 | 4 | 5.7 | CN1C2CCC1[C@@H](C(=O)OCCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0300375 | ||
| CHEMBL95775 | 206005 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 491 | 8 | 0 | 4 | 5.7 | CN1C2CCC1[C@@H](C(=O)OCCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0300375 | ||
| 118719927 | 115281 | 0 | None | -3 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115281 | 0 | None | -3 | 8 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 11001809 | 58772 | 0 | None | 1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169594 | 58772 | 0 | None | 1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 45271167 | 193694 | 0 | None | -977 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 5.3 | CN(Cc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| CHEMBL551888 | 193694 | 0 | None | -977 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 5.3 | CN(Cc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| 10197743 | 12836 | 9 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 92209179 | 12836 | 9 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1189286 | 12836 | 9 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL538467 | 12836 | 9 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 142 | 1 | 1 | 4 | -0.6 | COC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 237 | 203157 | 43 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 11828362 | 78510 | 0 | None | -47 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112959 | 78510 | 0 | None | -47 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 11610557 | 71687 | 0 | None | 8 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1CC(O)c2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL197588 | 71687 | 0 | None | 8 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1CC(O)c2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| 4601 | 205020 | 29 | None | 1 | 17 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 205020 | 29 | None | 1 | 17 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 205020 | 29 | None | 1 | 17 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 44431391 | 145888 | 0 | None | -8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 6 | 1 | 5 | 2.3 | CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL392186 | 145888 | 0 | None | -8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 6 | 1 | 5 | 2.3 | CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 178030 | 21171 | 27 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 193 | 2 | 0 | 5 | 0.4 | CCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL131428 | 21171 | 27 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 193 | 2 | 0 | 5 | 0.4 | CCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 10573458 | 118757 | 0 | None | -3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 407 | 6 | 2 | 4 | 3.5 | Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1 | 10.1021/jm0003135 | ||
| CHEMBL343659 | 118757 | 0 | None | -3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 407 | 6 | 2 | 4 | 3.5 | Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1 | 10.1021/jm0003135 | ||
| 156010212 | 177662 | 0 | None | 3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634066 | 177662 | 0 | None | 3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650562 | 177662 | 0 | None | 3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10058649 | 35896 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 201 | 1 | 1 | 2 | 2.5 | Oc1ccccc1C1=CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144434 | 35896 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 201 | 1 | 1 | 2 | 2.5 | Oc1ccccc1C1=CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 10429011 | 35899 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 240 | 1 | 0 | 1 | 3.6 | C[N+]12C=C(c3cc4ccccc4o3)C(CC1)CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144435 | 35899 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 240 | 1 | 0 | 1 | 3.6 | C[N+]12C=C(c3cc4ccccc4o3)C(CC1)CC2 | 10.1021/jm00003a011 | ||
| 46884667 | 8203 | 0 | None | -1174 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 312 | 5 | 0 | 3 | 4.5 | Cc1csc([C@H](C)C2=C(CCN(C)C)Cc3ccccc32)n1 | 10.1016/j.bmcl.2010.02.055 | ||
| CHEMBL1092599 | 8203 | 0 | None | -1174 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 312 | 5 | 0 | 3 | 4.5 | Cc1csc([C@H](C)C2=C(CCN(C)C)Cc3ccccc32)n1 | 10.1016/j.bmcl.2010.02.055 | ||
| 164619478 | 187954 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 533 | 8 | 3 | 7 | 1.5 | NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872882 | 187954 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 533 | 8 | 3 | 7 | 1.5 | NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028552 | 187954 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 533 | 8 | 3 | 7 | 1.5 | NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 137640201 | 156419 | 2 | None | -288 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156419 | 2 | None | -288 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 10951142 | 5151 | 0 | None | -7 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 496 | 6 | 0 | 6 | 5.9 | CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106219 | 5151 | 0 | None | -7 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 496 | 6 | 0 | 6 | 5.9 | CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 122194373 | 123489 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 397 | 8 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629533 | 123489 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 397 | 8 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| 24894516 | 172139 | 0 | None | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL450463 | 172139 | 0 | None | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| 448537 | 159703 | 86 | None | -28 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL411 | 159703 | 86 | None | -28 | 25 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | ||
| 44342011 | 9983 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 428 | 9 | 0 | 3 | 5.4 | CN(C)CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| CHEMBL115370 | 9983 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 428 | 9 | 0 | 3 | 5.4 | CN(C)CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm030646c | ||
| 31703 | 193050 | 59 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | nan | ||
| CHEMBL359744 | 193050 | 59 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | nan | ||
| CHEMBL53463 | 193050 | 59 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | nan | ||
| 44309209 | 202620 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.7 | CC(C)(N)CC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL71483 | 202620 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.7 | CC(C)(N)CC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10243426 | 121402 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 241 | 1 | 0 | 2 | 4.0 | C1=C(c2csc3ccccc23)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL359027 | 121402 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 241 | 1 | 0 | 2 | 4.0 | C1=C(c2csc3ccccc23)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 10400545 | 20538 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 263 | 7 | 0 | 5 | 2.4 | CCCCCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL130927 | 20538 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 263 | 7 | 0 | 5 | 2.4 | CCCCCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 10262947 | 114707 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 221 | 4 | 0 | 5 | 1.2 | CCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL334493 | 114707 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 221 | 4 | 0 | 5 | 1.2 | CCCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 2551 | 782 | 23 | None | 3 | 11 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 298 | 782 | 23 | None | 3 | 11 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 488 | 782 | 23 | None | 3 | 11 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| CHEMBL965 | 782 | 23 | None | 3 | 11 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| DB00411 | 782 | 23 | None | 3 | 11 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 15050953 | 101869 | 0 | None | -1 | 4 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 9 | 2 | 7 | 4.0 | CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL303684 | 101869 | 0 | None | -1 | 4 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 9 | 2 | 7 | 4.0 | CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 154734599 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 327 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 4108 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| CHEMBL27673 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 154734599 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| 327 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| 4108 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL27673 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| 154734599 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 327 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 4108 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| CHEMBL27673 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 44311717 | 202784 | 0 | None | -102 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 580 | 8 | 0 | 6 | 5.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72494 | 202784 | 0 | None | -102 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 580 | 8 | 0 | 6 | 5.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 15982955 | 93215 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 9 | 0 | 6 | 4.9 | COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1 | 10.1016/j.bmcl.2007.04.012 | ||
| CHEMBL246794 | 93215 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 9 | 0 | 6 | 4.9 | COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1 | 10.1016/j.bmcl.2007.04.012 | ||
| 155521847 | 170120 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 418 | 5 | 0 | 3 | 5.3 | O=C(OCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4451770 | 170120 | 0 | None | -4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 418 | 5 | 0 | 3 | 5.3 | O=C(OCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 71575224 | 85791 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312383 | 85791 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1 | 10.1021/jm301774u | ||
| 71449073 | 78172 | 0 | None | 3 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 2 | 2 | 6 | 0.6 | O=C1Nc2cccnc2N(C(=O)CN2CCNCC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| CHEMBL2112217 | 78172 | 0 | None | 3 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 2 | 2 | 6 | 0.6 | O=C1Nc2cccnc2N(C(=O)CN2CCNCC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| 46865650 | 8201 | 0 | None | -3715 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 6 | 0 | 4 | 3.6 | COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2ccccc21 | 10.1016/j.bmcl.2010.02.055 | ||
| CHEMBL1092597 | 8201 | 0 | None | -3715 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 6 | 0 | 4 | 3.6 | COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2ccccc21 | 10.1016/j.bmcl.2010.02.055 | ||
| 44612796 | 196220 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 2.1 | CN1CCC=C(C2SCC(=O)N2c2ccc(C(=O)O)cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| CHEMBL572822 | 196220 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 318 | 3 | 1 | 4 | 2.1 | CN1CCC=C(C2SCC(=O)N2c2ccc(C(=O)O)cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| 11131099 | 119755 | 0 | None | -3 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| CHEMBL352404 | 119755 | 0 | None | -3 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 11011332 | 120289 | 1 | None | 1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL355560 | 120289 | 1 | None | 1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 156011112 | 177700 | 0 | None | -18 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4633679 | 177700 | 0 | None | -18 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650842 | 177700 | 0 | None | -18 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 76316941 | 105912 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 493 | 8 | 0 | 2 | 8.6 | CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3084607 | 105912 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 493 | 8 | 0 | 2 | 8.6 | CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3139423 | 105912 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 493 | 8 | 0 | 2 | 8.6 | CCCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| 44383554 | 120277 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.5 | CC1CCCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL355475 | 120277 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.5 | CC1CCCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C1 | 10.1016/s0960-894x(99)00101-8 | ||
| 44383238 | 120115 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 0 | 3 | 5.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC43)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL354636 | 120115 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 387 | 4 | 0 | 3 | 5.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC43)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 44593620 | 187353 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496915 | 187353 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 164609302 | 187879 | 0 | None | -20 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846958 | 187879 | 0 | None | -20 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027951 | 187879 | 0 | None | -20 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44431376 | 86889 | 0 | None | -19 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 344 | 6 | 1 | 4 | 2.7 | CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233200 | 86889 | 0 | None | -19 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 344 | 6 | 1 | 4 | 2.7 | CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 137631026 | 160603 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4093215 | 160603 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117321 | 160603 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 17621 | 60273 | 1 | None | 2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 2.8 | CCN(CC)CC#CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL176012 | 60273 | 1 | None | 2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 2.8 | CCN(CC)CC#CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| 145961125 | 160998 | 0 | None | 3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128667 | 160998 | 0 | None | 3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 10176401 | 154429 | 15 | None | 1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | CC1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL40121 | 154429 | 15 | None | 1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | CC1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(96)00471-4 | ||
| 10475156 | 121009 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 258 | 1 | 1 | 2 | 2.5 | C[N+]12CCC(CC1)C(O)(c1cc3ccccc3o1)C2 | 10.1021/jm00003a011 | ||
| CHEMBL358493 | 121009 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 258 | 1 | 1 | 2 | 2.5 | C[N+]12CCC(CC1)C(O)(c1cc3ccccc3o1)C2 | 10.1021/jm00003a011 | ||
| 10176401 | 154429 | 15 | None | 1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | CC1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| CHEMBL40121 | 154429 | 15 | None | 1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | CC1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| 9921863 | 58996 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 2 | 4 | 2.4 | Cc1cc(NCCO)cc(N2CCc3ccccc3C2)n1 | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL170552 | 58996 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 2 | 4 | 2.4 | Cc1cc(NCCO)cc(N2CCc3ccccc3C2)n1 | 10.1016/s0960-894x(03)00007-6 | ||
| 44318802 | 204219 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 307 | 2 | 1 | 4 | 2.3 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)C1CCCCC1 | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL84222 | 204219 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 307 | 2 | 1 | 4 | 2.3 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)C1CCCCC1 | 10.1016/0960-894X(96)00471-4 | ||
| 137644950 | 157946 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 206 | 4 | 0 | 3 | 1.6 | CN1CCC(COCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091032 | 157946 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 206 | 4 | 0 | 3 | 1.6 | CN1CCC(COCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 164624458 | 187998 | 0 | None | -11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 873 | 19 | 9 | 12 | -0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4863121 | 187998 | 0 | None | -11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 873 | 19 | 9 | 12 | -0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028823 | 187998 | 0 | None | -11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 873 | 19 | 9 | 12 | -0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 57326237 | 76830 | 0 | None | 1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042407 | 76830 | 0 | None | 1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078985 | 76830 | 0 | None | 1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 4715419 | 188155 | 30 | None | -8 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | ||
| CHEMBL505086 | 188155 | 30 | None | -8 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 46227485 | 14008 | 0 | None | -3 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198034 | 14008 | 0 | None | -3 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593620 | 14008 | 0 | None | -3 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 44417436 | 141239 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 433 | 5 | 0 | 4 | 5.1 | COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C | 10.1021/jm060762q | ||
| CHEMBL386064 | 141239 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 433 | 5 | 0 | 4 | 5.1 | COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C | 10.1021/jm060762q | ||
| 15678856 | 103305 | 0 | None | 1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 5 | 2 | 6 | 1.3 | NCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL308893 | 103305 | 0 | None | 1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 5 | 2 | 6 | 1.3 | NCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 12066265 | 96664 | 0 | None | -14 | 4 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 487 | 6 | 0 | 2 | 7.6 | Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL267562 | 96664 | 0 | None | -14 | 4 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 487 | 6 | 0 | 2 | 7.6 | Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| 10248403 | 102945 | 0 | None | 25 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.4 | COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084867 | 102945 | 0 | None | 25 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.4 | COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 | 10.1021/jm00020a006 | ||
| 155522355 | 175835 | 0 | None | -31 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4451030 | 175835 | 0 | None | -31 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4596065 | 175835 | 0 | None | -31 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 9818955 | 9253 | 1 | None | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| CHEMBL111224 | 9253 | 1 | None | -2 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| 44341940 | 110160 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 463 | 9 | 0 | 3 | 6.3 | Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| CHEMBL325826 | 110160 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 463 | 9 | 0 | 3 | 6.3 | Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| 12066266 | 67332 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 447 | 7 | 0 | 2 | 6.9 | C[C@@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm990265s | ||
| CHEMBL1907642 | 67332 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 447 | 7 | 0 | 2 | 6.9 | C[C@@H](CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm990265s | ||
| 1548953 | 205945 | 24 | None | -1 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 205945 | 24 | None | -1 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 44341929 | 9504 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 4.9 | O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1 | 10.1021/jm030646c | ||
| CHEMBL112528 | 9504 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 4.9 | O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1cccnc1 | 10.1021/jm030646c | ||
| 15050951 | 164373 | 0 | None | -1 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 493 | 8 | 3 | 7 | 0.6 | CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL422407 | 164373 | 0 | None | -1 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 493 | 8 | 3 | 7 | 0.6 | CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 76320673 | 105894 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 459 | 7 | 0 | 2 | 8.0 | CCCc1cccc(N2[C@H]3CC[C@]2(C)C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3084609 | 105894 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 459 | 7 | 0 | 2 | 8.0 | CCCc1cccc(N2[C@H]3CC[C@]2(C)C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL3139279 | 105894 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 459 | 7 | 0 | 2 | 8.0 | CCCc1cccc(N2[C@H]3CC[C@]2(C)C[C@@H](OC(c2ccccc2)c2ccc(Cl)cc2)C3)c1 | 10.1021/jm000417f | ||
| 2337 | 3205 | 72 | None | -18 | 62 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| 50 | 3205 | 72 | None | -18 | 62 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| 5002 | 3205 | 72 | None | -18 | 62 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| CHEMBL716 | 3205 | 72 | None | -18 | 62 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| DB01224 | 3205 | 72 | None | -18 | 62 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| 16094788 | 141383 | 0 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL386983 | 141383 | 0 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 10135703 | 13310 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 401 | 15 | 0 | 9 | 1.7 | CCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1192846 | 13310 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 401 | 15 | 0 | 9 | 1.7 | CCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL544152 | 13310 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 401 | 15 | 0 | 9 | 1.7 | CCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 164611279 | 187889 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854472 | 187889 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028067 | 187889 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 21509921 | 103979 | 0 | None | -407 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 103979 | 0 | None | -407 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 16759249 | 9912 | 1 | None | -9 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| CHEMBL11493 | 9912 | 1 | None | -9 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 7 | 0 | 2 | 5.9 | CCCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| 44384258 | 128152 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.6 | CC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL366819 | 128152 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.6 | CC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 | 10.1016/s0960-894x(99)00101-8 | ||
| 44291150 | 13377 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 7.4 | CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL1193333 | 13377 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 7.4 | CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL544721 | 13377 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 7.4 | CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| 214124 | 169124 | 2 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL443780 | 169124 | 2 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 1687 | 103930 | 15 | None | 15 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL310310 | 103930 | 15 | None | 15 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL540034 | 103930 | 15 | None | 15 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| 10404824 | 102956 | 0 | None | 4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 337 | 5 | 0 | 3 | 4.4 | COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084880 | 102956 | 0 | None | 4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 337 | 5 | 0 | 3 | 4.4 | COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| 44383653 | 120338 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL355854 | 120338 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 14939893 | 9443 | 0 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL112244 | 9443 | 0 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 9953227 | 202496 | 0 | None | -11 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 6 | 0 | 3 | 6.9 | C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL70828 | 202496 | 0 | None | -11 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 6 | 0 | 3 | 6.9 | C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 11798126 | 41728 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | COc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL149484 | 41728 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | COc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(99)00101-8 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(99)00101-8 | ||
| 56965018 | 76828 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042552 | 76828 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078967 | 76828 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 145960466 | 160976 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128341 | 160976 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| 59291452 | 112279 | 0 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298590 | 112279 | 0 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305615 | 112279 | 0 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 44455198 | 97208 | 0 | None | 1 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL271108 | 97208 | 0 | None | 1 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2007.11.022 | ||
| 44455198 | 97208 | 0 | None | -1 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1021/acs.jmedchem.8b00041 | ||
| CHEMBL271108 | 97208 | 0 | None | -1 | 10 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1021/acs.jmedchem.8b00041 | ||
| 9815331 | 201417 | 1 | None | -489 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL64000 | 201417 | 1 | None | -489 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 44308746 | 202153 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 3 | 2 | 3 | 2.6 | CC1(N)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL68609 | 202153 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 3 | 2 | 3 | 2.6 | CC1(N)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 135398745 | 2869 | 108 | None | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1016/j.bmc.2008.06.030 | ||
| 47 | 2869 | 108 | None | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1016/j.bmc.2008.06.030 | ||
| CHEMBL715 | 2869 | 108 | None | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1016/j.bmc.2008.06.030 | ||
| DB00334 | 2869 | 108 | None | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1016/j.bmc.2008.06.030 | ||
| 44337760 | 9175 | 0 | None | 2 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.8 | CN1CC2CC1C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL110808 | 9175 | 0 | None | 2 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.8 | CN1CC2CC1C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 162649253 | 183063 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4748004 | 183063 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4802611 | 183063 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 101676031 | 96879 | 0 | None | 3 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 16175987 | 96879 | 0 | None | 3 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201998 | 96879 | 0 | None | 3 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL269272 | 96879 | 0 | None | 3 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 138711318 | 177546 | 0 | None | -4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 346 | 4 | 2 | 3 | 4.2 | O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4648196 | 177546 | 0 | None | -4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 346 | 4 | 2 | 3 | 4.2 | O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 162654942 | 183089 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4754371 | 183089 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802913 | 183089 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 9956104 | 34143 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 464 | 10 | 0 | 11 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL142766 | 34143 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 464 | 10 | 0 | 11 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 55005 | 104296 | 7 | None | 1 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL310852 | 104296 | 7 | None | 1 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 155529196 | 170844 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 4 | 0 | 3 | 4.4 | Cc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4462631 | 170844 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 4 | 0 | 3 | 4.4 | Cc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 10241624 | 19553 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 190 | 2 | 0 | 4 | 1.1 | C=Cn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL130127 | 19553 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 190 | 2 | 0 | 4 | 1.1 | C=Cn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 46861858 | 8477 | 0 | None | -50 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 5 | 0 | 4 | 3.9 | CN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1 | 10.1016/j.bmcl.2011.10.115 | ||
| CHEMBL1094510 | 8477 | 0 | None | -50 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 5 | 0 | 4 | 3.9 | CN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1 | 10.1016/j.bmcl.2011.10.115 | ||
| 9976807 | 102960 | 0 | None | 5 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm060762q | ||
| CHEMBL3084884 | 102960 | 0 | None | 5 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm060762q | ||
| 15157139 | 99350 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL285440 | 99350 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 44311785 | 203030 | 0 | None | -69 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 526 | 8 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL74352 | 203030 | 0 | None | -69 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 526 | 8 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 22605911 | 101227 | 2 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 225 | 1 | 1 | 3 | 2.2 | Nc1cc(N2CCc3ccccc3C2)ccn1 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL299419 | 101227 | 2 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 225 | 1 | 1 | 3 | 2.2 | Nc1cc(N2CCc3ccccc3C2)ccn1 | 10.1016/s0960-894x(03)00232-4 | ||
| 87934 | 97630 | 23 | None | 2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00050a006 | ||
| CHEMBL273308 | 97630 | 23 | None | 2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00050a006 | ||
| CHEMBL542883 | 97630 | 23 | None | 2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00050a006 | ||
| 44577881 | 178032 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 347 | 3 | 1 | 4 | 2.4 | COc1ccc(NC(=S)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL467348 | 178032 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 347 | 3 | 1 | 4 | 2.4 | COc1ccc(NC(=S)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2008.06.053 | ||
| 44576424 | 187143 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 378 | 3 | 0 | 4 | 2.6 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL495401 | 187143 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 378 | 3 | 0 | 4 | 2.6 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 14956863 | 203093 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 276 | 1 | 0 | 4 | 1.8 | CN1CCC2(CC1)OC(=S)N(c1ccccc1)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL75045 | 203093 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 276 | 1 | 0 | 4 | 1.8 | CN1CCC2(CC1)OC(=S)N(c1ccccc1)C2=O | 10.1021/jm00068a005 | ||
| 44267765 | 98035 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 7 | 0 | 2 | 6.8 | Fc1ccc(C(OC2CC3CCC(C2)N3C/C=C/c2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL275979 | 98035 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 7 | 0 | 2 | 6.8 | Fc1ccc(C(OC2CC3CCC(C2)N3C/C=C/c2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| 10476905 | 98008 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 5.1 | CC(C)[C@H](N)CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| CHEMBL275802 | 98008 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 5.1 | CC(C)[C@H](N)CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm990265s | ||
| 71461700 | 79184 | 0 | None | -7 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 0.8 | O=C1CCCN1CC#CC[C@@H]1CCCN1 | 10.1021/jm00087a008 | ||
| CHEMBL2114425 | 79184 | 0 | None | -7 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 0.8 | O=C1CCCN1CC#CC[C@@H]1CCCN1 | 10.1021/jm00087a008 | ||
| 9842753 | 200127 | 0 | None | -1 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1C[C@@H](O)c2ccccc2[C@@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL606963 | 200127 | 0 | None | -1 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1C[C@@H](O)c2ccccc2[C@@H]1c1ccccc1 | 10.1021/jm050099q | ||
| 154734599 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 327 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 4108 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| CHEMBL27673 | 2467 | 8 | None | -3 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 155522355 | 175835 | 0 | None | -31 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451030 | 175835 | 0 | None | -31 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596065 | 175835 | 0 | None | -31 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 145960592 | 160814 | 0 | None | 2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4126071 | 160814 | 0 | None | 2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 124300908 | 13083 | 5 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 2606 | 13083 | 5 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1191029 | 13083 | 5 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL542065 | 13083 | 5 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 166 | 2 | 1 | 4 | -0.6 | C#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 10421689 | 35563 | 0 | None | 2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 239 | 1 | 0 | 1 | 1.8 | C1=C(c2ccc[se]2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144123 | 35563 | 0 | None | 2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 239 | 1 | 0 | 1 | 1.8 | C1=C(c2ccc[se]2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 71575223 | 85790 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccn2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312382 | 85790 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccn2)C1 | 10.1021/jm301774u | ||
| 10012596 | 188427 | 2 | None | -1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| CHEMBL50898 | 188427 | 2 | None | -1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| 44318724 | 167465 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 1.9 | CCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL432186 | 167465 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 1.9 | CCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 44577880 | 178031 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 347 | 3 | 1 | 4 | 2.4 | COc1cccc(NC(=S)N2CCOC(C3=CCCN(C)C3)C2)c1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL467347 | 178031 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 347 | 3 | 1 | 4 | 2.4 | COc1cccc(NC(=S)N2CCOC(C3=CCCN(C)C3)C2)c1 | 10.1016/j.bmc.2008.06.053 | ||
| 9872676 | 77826 | 0 | None | -10471 | 17 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
| CHEMBL210514 | 77826 | 0 | None | -10471 | 17 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
| 76316965 | 102996 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 471 | 7 | 2 | 2 | 6.4 | Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085018 | 102996 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 471 | 7 | 2 | 2 | 6.4 | Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCc2c[nH]c3ccccc23)c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2005.08.111 | ||
| 44342087 | 110808 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 508 | 8 | 1 | 3 | 7.1 | O=C(CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2)Nc1ccccc1 | 10.1021/jm030646c | ||
| CHEMBL326604 | 110808 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 508 | 8 | 1 | 3 | 7.1 | O=C(CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2)Nc1ccccc1 | 10.1021/jm030646c | ||
| 44382865 | 119775 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL352596 | 119775 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 44392960 | 65969 | 0 | None | -9 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL184843 | 65969 | 0 | None | -9 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/s0960-894x(99)00313-3 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/s0960-894x(99)00313-3 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/s0960-894x(99)00313-3 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/s0960-894x(99)00313-3 | ||
| 44311760 | 202794 | 0 | None | -109 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL72551 | 202794 | 0 | None | -109 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44311760 | 202794 | 0 | None | -109 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72551 | 202794 | 0 | None | -109 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44627741 | 196005 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL571123 | 196005 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 44517701 | 8819 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 300 | 2 | 0 | 3 | 2.1 | Cc1ccc(C(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2009.06.032 | ||
| CHEMBL1097623 | 8819 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 300 | 2 | 0 | 3 | 2.1 | Cc1ccc(C(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1 | 10.1016/j.bmc.2009.06.032 | ||
| 75356563 | 156415 | 20 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 184 | 3 | 1 | 4 | 1.0 | c1csc(COC2CCNC2)n1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4072787 | 156415 | 20 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 184 | 3 | 1 | 4 | 1.0 | c1csc(COC2CCNC2)n1 | 10.1021/acs.jmedchem.7b01113 | ||
| 15169865 | 11158 | 0 | None | -10 | 3 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL1179079 | 11158 | 0 | None | -10 | 3 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL59085 | 11158 | 0 | None | -10 | 3 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| 137628858 | 160424 | 0 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | CCOc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4074319 | 160424 | 0 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | CCOc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115967 | 160424 | 0 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | CCOc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44328561 | 205635 | 0 | None | 4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 243 | 3 | 0 | 3 | 2.5 | COc1ccccc1C(=O)C1=CN2CCC1CC2 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL93709 | 205635 | 0 | None | 4 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 243 | 3 | 0 | 3 | 2.5 | COc1ccccc1C(=O)C1=CN2CCC1CC2 | 10.1016/S0960-894X(01)80824-6 | ||
| 10360219 | 101540 | 0 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL301670 | 101540 | 0 | None | -4 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 3055 | 1405 | 43 | None | 1 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 313 | 1405 | 43 | None | 1 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 7163 | 1405 | 43 | None | 1 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL936 | 1405 | 43 | None | 1 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| DB01231 | 1405 | 43 | None | 1 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 11000399 | 58786 | 0 | None | 1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169680 | 58786 | 0 | None | 1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 14925759 | 157494 | 6 | None | -1479 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 157494 | 6 | None | -1479 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44382858 | 58904 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 333 | 4 | 0 | 3 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL170205 | 58904 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 333 | 4 | 0 | 3 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 11013666 | 59120 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL171102 | 59120 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 155524478 | 170378 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.5 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4455481 | 170378 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.5 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 57400501 | 69365 | 0 | None | -426 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 5 | 1 | 4 | 3.6 | c1ccc(OCCn2c(C3CCCNC3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| CHEMBL1935438 | 69365 | 0 | None | -426 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 5 | 1 | 4 | 3.6 | c1ccc(OCCn2c(C3CCCNC3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| 155510347 | 174139 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4559952 | 174139 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 10810094 | 119055 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 384 | 6 | 2 | 3 | 3.8 | O=C(NC1CCN(CC2CCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL345985 | 119055 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 384 | 6 | 2 | 3 | 3.8 | O=C(NC1CCN(CC2CCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 44612798 | 196415 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 319 | 3 | 0 | 5 | 2.3 | CN1CCC=C(C2SCC(=O)N2c2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| CHEMBL574412 | 196415 | 0 | None | - | 1 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 319 | 3 | 0 | 5 | 2.3 | CN1CCC=C(C2SCC(=O)N2c2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| 71454467 | 78290 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL2112508 | 78290 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 401 | 5 | 0 | 4 | 4.1 | COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| 15730 | 70774 | 73 | None | -2 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 70774 | 73 | None | -2 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 611107 | 202246 | 1 | None | 1 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 451 | 7 | 3 | 7 | 0.4 | NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL69287 | 202246 | 1 | None | 1 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 451 | 7 | 3 | 7 | 0.4 | NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 10969696 | 131583 | 0 | None | -3 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL369575 | 131583 | 0 | None | -3 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 162657652 | 180403 | 0 | None | 1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758742 | 180403 | 0 | None | 1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | ||
| 24894514 | 172165 | 3 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL450729 | 172165 | 3 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| 76335161 | 103007 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 460 | 9 | 1 | 2 | 6.7 | Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085030 | 103007 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 460 | 9 | 1 | 2 | 6.7 | Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2005.08.111 | ||
| 44457862 | 99017 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.7 | CN1C2CCC1C(C(=O)OCc1ccccc1)C(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/s0960-894x(02)00155-5 | ||
| CHEMBL283154 | 99017 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.7 | CN1C2CCC1C(C(=O)OCc1ccccc1)C(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/s0960-894x(02)00155-5 | ||
| 44330382 | 106727 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.7 | CN1C2CCC1[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0300375 | ||
| CHEMBL316634 | 106727 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.7 | CN1C2CCC1[C@@H](C(=O)OCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0300375 | ||
| 14537188 | 136023 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL37372 | 136023 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| 2733619 | 11806 | 5 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 6508725 | 11806 | 5 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL1182634 | 11806 | 5 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL257431 | 11806 | 5 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 10465486 | 20234 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 203 | 2 | 0 | 5 | 0.0 | C#CCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL130688 | 20234 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 203 | 2 | 0 | 5 | 0.0 | C#CCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 164625419 | 188005 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 504 | 8 | 2 | 6 | 3.0 | NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862087 | 188005 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 504 | 8 | 2 | 6 | 3.0 | NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028881 | 188005 | 0 | None | -12 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 504 | 8 | 2 | 6 | 3.0 | NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 118719924 | 115278 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 649 | 20 | 0 | 7 | 8.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354071 | 115278 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 649 | 20 | 0 | 7 | 8.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 15196236 | 118695 | 0 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 229 | 1 | 0 | 2 | 2.3 | c1ccc2c(c1)CC(C1CN3CCC1CC3)O2 | 10.1021/jm00003a011 | ||
| CHEMBL343236 | 118695 | 0 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 229 | 1 | 0 | 2 | 2.3 | c1ccc2c(c1)CC(C1CN3CCC1CC3)O2 | 10.1021/jm00003a011 | ||
| 6098192 | 200116 | 11 | None | 1 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL606901 | 200116 | 11 | None | 1 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| 15050935 | 202272 | 0 | None | 1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 381 | 3 | 2 | 6 | 1.1 | CN1CCN(CC(=O)N2c3cc(CO)ccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL69423 | 202272 | 0 | None | 1 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 381 | 3 | 2 | 6 | 1.1 | CN1CCN(CC(=O)N2c3cc(CO)ccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 44383489 | 127951 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 434 | 4 | 0 | 5 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL366640 | 127951 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 434 | 4 | 0 | 5 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 44392984 | 12151 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 358 | 2 | 0 | 2 | 4.6 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL1184654 | 12151 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 358 | 2 | 0 | 2 | 4.6 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL362864 | 12151 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 358 | 2 | 0 | 2 | 4.6 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 11834199 | 58463 | 0 | None | -10 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL168704 | 58463 | 0 | None | -10 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 21509921 | 103979 | 0 | None | -407 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 103979 | 0 | None | -407 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 162353379 | 180380 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758449 | 180380 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 342 | 723 | 50 | None | -4 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 10.1021/jm201348t | ||
| 442021 | 723 | 50 | None | -4 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 10.1021/jm201348t | ||
| CHEMBL501756 | 723 | 50 | None | -4 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 10.1021/jm201348t | ||
| 162353371 | 181068 | 0 | None | -18 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4775999 | 181068 | 0 | None | -18 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 24894633 | 176326 | 0 | None | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL461709 | 176326 | 0 | None | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| 138680294 | 177756 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 3 | 2 | 1 | 3.9 | C[N+]12CCC(CC1)[C@@H](NC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4637749 | 177756 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 3 | 2 | 1 | 3.9 | C[N+]12CCC(CC1)[C@@H](NC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4651167 | 177756 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 3 | 2 | 1 | 3.9 | C[N+]12CCC(CC1)[C@@H](NC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 | 10.1021/acs.jmedchem.0c00297 | ||
| 73354391 | 88865 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 796 | 15 | 2 | 10 | 4.7 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| CHEMBL2368390 | 88865 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 796 | 15 | 2 | 10 | 4.7 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| 70683405 | 74126 | 0 | None | -8 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021477 | 74126 | 0 | None | -8 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027984 | 74126 | 0 | None | -8 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| 44318930 | 105691 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| CHEMBL313738 | 105691 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| 137629673 | 160612 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 198 | 3 | 0 | 0 | 2.6 | C[N+](C)(C)CCc1cccc(Cl)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4094819 | 160612 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 198 | 3 | 0 | 0 | 2.6 | C[N+](C)(C)CCc1cccc(Cl)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117396 | 160612 | 0 | None | 1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 198 | 3 | 0 | 0 | 2.6 | C[N+](C)(C)CCc1cccc(Cl)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 76327898 | 103006 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 384 | 7 | 1 | 2 | 5.4 | CCCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085029 | 103006 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 384 | 7 | 1 | 2 | 5.4 | CCCCN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| 44437295 | 11788 | 0 | None | -5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182472 | 11788 | 0 | None | -5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239866 | 11788 | 0 | None | -5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 164616974 | 187933 | 0 | None | -19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 675 | 15 | 7 | 8 | 2.2 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4857722 | 187933 | 0 | None | -19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 675 | 15 | 7 | 8 | 2.2 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028407 | 187933 | 0 | None | -19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 675 | 15 | 7 | 8 | 2.2 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44340521 | 9607 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 387 | 5 | 1 | 3 | 4.0 | CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)O)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL113144 | 9607 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 387 | 5 | 1 | 3 | 4.0 | CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)O)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| 44267761 | 17798 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 584 | 11 | 0 | 5 | 7.9 | O=[N+]([O-])c1ccc(-c2ccc(COCCN3C4CCC3CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)C4)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL12619 | 17798 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 584 | 11 | 0 | 5 | 7.9 | O=[N+]([O-])c1ccc(-c2ccc(COCCN3C4CCC3CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)C4)cc2)cc1 | 10.1021/jm990265s | ||
| 10476118 | 123309 | 0 | None | 4 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 400 | 4 | 0 | 3 | 3.2 | CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc12 | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL362438 | 123309 | 0 | None | 4 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 400 | 4 | 0 | 3 | 3.2 | CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc12 | 10.1016/S0960-894X(97)00143-1 | ||
| 87934 | 97630 | 23 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL273308 | 97630 | 23 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL542883 | 97630 | 23 | None | 2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| 16086067 | 80905 | 0 | None | -288 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| CHEMBL215894 | 80905 | 0 | None | -288 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| 71455894 | 83388 | 0 | None | -3 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205827 | 83388 | 0 | None | -3 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 71455894 | 83388 | 0 | None | -3 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205827 | 83388 | 0 | None | -3 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 44382974 | 59201 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.7 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C4CCCCC4)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL171520 | 59201 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.7 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C4CCCCC4)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 44299323 | 100228 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1O[C@@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL292408 | 100228 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1O[C@@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 574782 | 101681 | 2 | None | -1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 397 | 3 | 1 | 6 | 2.3 | CSc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCN(C)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL302557 | 101681 | 2 | None | -1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 397 | 3 | 1 | 6 | 2.3 | CSc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCN(C)CC1 | 10.1021/jm00111a032 | ||
| 118719926 | 115280 | 0 | None | -107 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115280 | 0 | None | -107 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 7047822 | 176262 | 12 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| CHEMBL461088 | 176262 | 12 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| 10088338 | 102963 | 0 | None | 15 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 335 | 4 | 0 | 2 | 5.0 | Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084888 | 102963 | 0 | None | 15 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 335 | 4 | 0 | 2 | 5.0 | Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1 | 10.1021/jm00020a006 | ||
| 44627956 | 13920 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197362 | 13920 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL568775 | 13920 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 9976807 | 102960 | 0 | None | 5 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm030646c | ||
| CHEMBL3084884 | 102960 | 0 | None | 5 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm030646c | ||
| 9976807 | 102960 | 0 | None | 5 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| CHEMBL3084884 | 102960 | 0 | None | 5 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| 71575025 | 85794 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(OC)c2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312387 | 85794 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(OC)c2)C1 | 10.1021/jm301774u | ||
| 10572657 | 40298 | 0 | None | -4 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL148328 | 40298 | 0 | None | -4 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 44312132 | 101832 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 406 | 5 | 0 | 4 | 4.4 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL303443 | 101832 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 406 | 5 | 0 | 4 | 4.4 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 164614732 | 187914 | 0 | None | -19 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 519 | 7 | 3 | 7 | 1.1 | NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4860752 | 187914 | 0 | None | -19 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 519 | 7 | 3 | 7 | 1.1 | NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028266 | 187914 | 0 | None | -19 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 519 | 7 | 3 | 7 | 1.1 | NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 46227457 | 14019 | 0 | None | -2 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198075 | 14019 | 0 | None | -2 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL594801 | 14019 | 0 | None | -2 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/j.bmcl.2004.05.047 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/j.bmcl.2004.05.047 | ||
| 44340198 | 9568 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 4 | 1 | 3 | 3.7 | CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](O)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL112825 | 9568 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 4 | 1 | 3 | 3.7 | CN1C2CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](O)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| 23352279 | 205846 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 3.0 | CC(=O)c1ccc(C2=CN3CCC2CC3)s1 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL94921 | 205846 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 3.0 | CC(=O)c1ccc(C2=CN3CCC2CC3)s1 | 10.1016/S0960-894X(01)80824-6 | ||
| 57404030 | 69364 | 0 | None | -398 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cn2c([C@@H]3CCCNC3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| CHEMBL1935437 | 69364 | 0 | None | -398 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 3 | 1 | 3 | 3.7 | Fc1ccc(Cn2c([C@@H]3CCCNC3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| 10407634 | 105476 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 383 | 3 | 1 | 4 | 4.1 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)c1ccc(C2CCCCC2)cc1 | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL312957 | 105476 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 383 | 3 | 1 | 4 | 4.1 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)c1ccc(C2CCCCC2)cc1 | 10.1016/0960-894X(96)00471-4 | ||
| 44250284 | 193552 | 0 | None | -1230 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 4.6 | CN(CC1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2010.03.027 | ||
| CHEMBL550818 | 193552 | 0 | None | -1230 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 4.6 | CN(CC1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2010.03.027 | ||
| 10103790 | 20939 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 181 | 1 | 0 | 5 | 0.0 | CN1CCCC(c2nnn(C)n2)C1 | 10.1021/jm00050a006 | ||
| CHEMBL131249 | 20939 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 181 | 1 | 0 | 5 | 0.0 | CN1CCCC(c2nnn(C)n2)C1 | 10.1021/jm00050a006 | ||
| 631645 | 164324 | 1 | None | -1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 565 | 9 | 3 | 8 | 2.4 | CC(C)(C)OC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL422053 | 164324 | 1 | None | -1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 565 | 9 | 3 | 8 | 2.4 | CC(C)(C)OC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 46886612 | 8945 | 0 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 331 | 3 | 0 | 5 | 1.7 | CN1CCC=C(C2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| CHEMBL1098606 | 8945 | 0 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 331 | 3 | 0 | 5 | 1.7 | CN1CCC=C(C2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| 10073022 | 85631 | 0 | None | -38 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 461 | 9 | 0 | 2 | 7.1 | Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| CHEMBL2308105 | 85631 | 0 | None | -38 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 461 | 9 | 0 | 2 | 7.1 | Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| 137645938 | 157041 | 0 | None | -354 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4080675 | 157041 | 0 | None | -354 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 109035056 | 180741 | 1 | None | -7 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4762755 | 180741 | 1 | None | -7 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | ||
| 123603 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 2684 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 584 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 9658 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL168815 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 44274432 | 79717 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21328 | 79717 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 11759058 | 120336 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL355851 | 120336 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 154734599 | 2467 | 8 | None | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 327 | 2467 | 8 | None | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 4108 | 2467 | 8 | None | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| CHEMBL27673 | 2467 | 8 | None | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 3013846 | 187656 | 2 | None | -3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| CHEMBL499519 | 187656 | 2 | None | -3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| 137629744 | 160628 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4071109 | 160628 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117602 | 160628 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 44577948 | 178146 | 0 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 317 | 2 | 1 | 3 | 2.3 | CN1CCC=C(C2CN(C(=S)Nc3ccccc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL468418 | 178146 | 0 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 317 | 2 | 1 | 3 | 2.3 | CN1CCC=C(C2CN(C(=S)Nc3ccccc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 10984923 | 31778 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 13 | 0 | 10 | 6.1 | CN1CCC=C(c2nsnc2SCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL140789 | 31778 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 13 | 0 | 10 | 6.1 | CN1CCC=C(c2nsnc2SCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 12872437 | 11953 | 0 | None | -4 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183585 | 11953 | 0 | None | -4 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL306182 | 11953 | 0 | None | -4 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| 156021441 | 177580 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648939 | 177580 | 0 | None | 2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10373706 | 57108 | 0 | None | 2 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 959 | 31 | 2 | 10 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL165220 | 57108 | 0 | None | 2 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 959 | 31 | 2 | 10 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| 156016041 | 177672 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 11580427 | 194935 | 9 | None | 23 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12 | 10.1021/jm900933k | ||
| CHEMBL564144 | 194935 | 9 | None | 23 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12 | 10.1021/jm900933k | ||
| 138680039 | 176477 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 339 | 3 | 2 | 2 | 3.7 | O=C(Nc1ccc(F)cc1-c1ccccc1)N[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4632615 | 176477 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 339 | 3 | 2 | 2 | 3.7 | O=C(Nc1ccc(F)cc1-c1ccccc1)N[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00297 | ||
| 9910802 | 120497 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 4.2 | O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL356505 | 120497 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 4.2 | O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 71452792 | 79243 | 0 | None | 1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.6 | CN1CC2CC1[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00090a006 | ||
| CHEMBL2115125 | 79243 | 0 | None | 1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 335 | 4 | 0 | 3 | 3.6 | CN1CC2CC1[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00090a006 | ||
| 11740181 | 102950 | 0 | None | 281 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(F)(F)F)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084873 | 102950 | 0 | None | 281 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(F)(F)F)cc1)C2 | 10.1021/jm00020a006 | ||
| 2230 | 461 | 55 | None | 75 | 10 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| 296 | 461 | 55 | None | 75 | 10 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| CHEMBL7303 | 461 | 55 | None | 75 | 10 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| DB04365 | 461 | 55 | None | 75 | 10 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm960467d | ||
| 319 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 321 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 444031 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 784 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| DB00496 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 319 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.0c00297 | ||
| 321 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.0c00297 | ||
| 444031 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.0c00297 | ||
| 784 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.0c00297 | ||
| DB00496 | 1297 | 39 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.0c00297 | ||
| 3941250 | 13226 | 18 | None | 70 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 334 | 8 | 0 | 5 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1192187 | 13226 | 18 | None | 70 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 334 | 8 | 0 | 5 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL543382 | 13226 | 18 | None | 70 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 334 | 8 | 0 | 5 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 9815331 | 201417 | 1 | None | -537 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -537 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 11638166 | 8063 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | CC(c1ccncc1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| CHEMBL1091790 | 8063 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | CC(c1ccncc1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| 9815331 | 201417 | 1 | None | -537 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -537 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 3028236 | 102126 | 1 | None | -36 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 9 | 0 | 2 | 4.2 | CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377383 | 102126 | 1 | None | -36 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 9 | 0 | 2 | 4.2 | CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL3041159 | 102126 | 1 | None | -36 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 9 | 0 | 2 | 4.2 | CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 197842 | 102128 | 3 | None | 8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 8 | 0 | 2 | 3.8 | CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377385 | 102128 | 3 | None | 8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 8 | 0 | 2 | 3.8 | CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL3041160 | 102128 | 3 | None | 8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 8 | 0 | 2 | 3.8 | CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 11508317 | 8056 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 336 | 5 | 0 | 3 | 5.1 | C[C@@H](c1ccccn1)c1c(CCN2CCCC2)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| CHEMBL1091774 | 8056 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 336 | 5 | 0 | 3 | 5.1 | C[C@@H](c1ccccn1)c1c(CCN2CCCC2)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| 156014450 | 177676 | 0 | None | -10 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636083 | 177676 | 0 | None | -10 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650652 | 177676 | 0 | None | -10 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 2028 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| 359 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| 4634 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| CHEMBL1231 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| DB01062 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| 44431384 | 148328 | 0 | None | -8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 6 | 1 | 4 | 4.0 | CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL394137 | 148328 | 0 | None | -8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 6 | 1 | 4 | 4.0 | CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 11723664 | 94695 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 322 | 5 | 1 | 4 | 3.9 | Cc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1 | 10.1021/jm030480f | ||
| CHEMBL25564 | 94695 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 322 | 5 | 1 | 4 | 3.9 | Cc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1 | 10.1021/jm030480f | ||
| 76324331 | 103002 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 2 | 5.3 | CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085024 | 103002 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 374 | 4 | 1 | 2 | 5.3 | CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| 10468535 | 97677 | 1 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 273 | 0 | 0 | 1 | 4.2 | c1ccc2c(c1)C(=C1CN3CCC1CC3)c1ccccc1-2 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL273586 | 97677 | 1 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 273 | 0 | 0 | 1 | 4.2 | c1ccc2c(c1)C(=C1CN3CCC1CC3)c1ccccc1-2 | 10.1016/S0960-894X(01)80824-6 | ||
| 10606253 | 156731 | 0 | None | -19 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL407678 | 156731 | 0 | None | -19 | 5 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 129989 | 447 | 41 | None | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 8584 | 447 | 41 | None | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL43383 | 447 | 41 | None | -9 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 9913341 | 81746 | 3 | None | -14 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL216927 | 81746 | 3 | None | -14 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL553058 | 81746 | 3 | None | -14 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 9909908 | 13408 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL1193635 | 13408 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL545077 | 13408 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| 10057861 | 24003 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 164 | 1 | 1 | 4 | 0.2 | Cn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL133961 | 24003 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 164 | 1 | 1 | 4 | 0.2 | Cn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 14956860 | 13590 | 1 | None | 1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 212 | 1 | 0 | 4 | 0.5 | CCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL1194903 | 13590 | 1 | None | 1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 212 | 1 | 0 | 4 | 0.5 | CCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL553520 | 13590 | 1 | None | 1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 212 | 1 | 0 | 4 | 0.5 | CCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 156015719 | 177683 | 0 | None | 3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4646457 | 177683 | 0 | None | 3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650699 | 177683 | 0 | None | 3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44339685 | 109975 | 0 | None | -1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| CHEMBL324725 | 109975 | 0 | None | -1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| 162649767 | 179522 | 0 | None | -2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4748337 | 179522 | 0 | None | -2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 122194377 | 123491 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 8 | 1 | 5 | 3.6 | COc1ccc(CCNC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629536 | 123491 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 8 | 1 | 5 | 3.6 | COc1ccc(CCNC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| 164611187 | 187886 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 732 | 17 | 8 | 9 | 1.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4851265 | 187886 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 732 | 17 | 8 | 9 | 1.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028060 | 187886 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 732 | 17 | 8 | 9 | 1.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 154059 | 3580 | 49 | None | -3 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| 2457 | 3580 | 49 | None | -3 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| 7483 | 3580 | 49 | None | -3 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL1734 | 3580 | 49 | None | -3 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| DB01591 | 3580 | 49 | None | -3 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| 14964507 | 113856 | 1 | None | 5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL333107 | 113856 | 1 | None | 5 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 71575548 | 85779 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.0 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312368 | 85779 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.0 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1 | 10.1021/jm301774u | ||
| 44380820 | 58748 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 265 | 1 | 1 | 3 | 2.7 | Nc1cc(N2CCc3ccccc3C2)nc2c1CCC2 | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL169469 | 58748 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 265 | 1 | 1 | 3 | 2.7 | Nc1cc(N2CCc3ccccc3C2)nc2c1CCC2 | 10.1016/s0960-894x(03)00007-6 | ||
| 44457862 | 99017 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.7 | CN1C2CCC1C(C(=O)OCc1ccccc1)C(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/s0960-894x(02)00155-5 | ||
| CHEMBL283154 | 99017 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 477 | 7 | 0 | 4 | 5.7 | CN1C2CCC1C(C(=O)OCc1ccccc1)C(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/s0960-894x(02)00155-5 | ||
| 2865 | 4079 | 67 | None | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| 59 | 4079 | 67 | None | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| 60854 | 4079 | 67 | None | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| CHEMBL708 | 4079 | 67 | None | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| DB00246 | 4079 | 67 | None | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | 10.1016/j.bmc.2008.06.030 | ||
| 14956871 | 162840 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 224 | 2 | 0 | 4 | 0.6 | C=CCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL419451 | 162840 | 0 | None | - | 1 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 224 | 2 | 0 | 4 | 0.6 | C=CCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| 164617938 | 187941 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854179 | 187941 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028470 | 187941 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156010398 | 177661 | 0 | None | -25 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4633895 | 177661 | 0 | None | -25 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650561 | 177661 | 0 | None | -25 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 11101362 | 5056 | 0 | None | -14 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105674 | 5056 | 0 | None | -14 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3 | 10.1021/jm011116o | ||
| 162353376 | 179846 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4752380 | 179846 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 24894635 | 169240 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL443939 | 169240 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL527880 | 169240 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| 72064 | 77994 | 9 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2110892 | 77994 | 9 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 73350398 | 89368 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 363 | 8 | 0 | 4 | 5.0 | CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377262 | 89368 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 363 | 8 | 0 | 4 | 5.0 | CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| 11674955 | 71733 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm050099q | ||
| CHEMBL197717 | 71733 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm050099q | ||
| 44312066 | 163829 | 0 | None | -3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 494 | 7 | 0 | 4 | 6.4 | COc1ccc([S+]([O-])c2ccc(C(C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL421304 | 163829 | 0 | None | -3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 494 | 7 | 0 | 4 | 6.4 | COc1ccc([S+]([O-])c2ccc(C(C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44431387 | 86890 | 0 | None | -7 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 6 | 1 | 5 | 2.9 | CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233201 | 86890 | 0 | None | -7 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 6 | 1 | 5 | 2.9 | CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 611037 | 201999 | 1 | None | 1 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 2.2 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCl)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL67532 | 201999 | 1 | None | 1 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 2.2 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCl)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 15050958 | 202099 | 0 | None | -1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 12 | 2 | 6 | 3.8 | CC(=O)NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL68292 | 202099 | 0 | None | -1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 12 | 2 | 6 | 3.8 | CC(=O)NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 11748799 | 164859 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL423831 | 164859 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 164623942 | 187994 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 831 | 21 | 11 | 10 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4873621 | 187994 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 831 | 21 | 11 | 10 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028796 | 187994 | 0 | None | -3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 831 | 21 | 11 | 10 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10339062 | 36058 | 0 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 242 | 1 | 0 | 1 | 3.4 | C[N+]12CCC(CC1)C(c1cc3ccccc3o1)C2 | 10.1021/jm00003a011 | ||
| CHEMBL144580 | 36058 | 0 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 242 | 1 | 0 | 1 | 3.4 | C[N+]12CCC(CC1)C(c1cc3ccccc3o1)C2 | 10.1021/jm00003a011 | ||
| 170332 | 160429 | 1 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 156015968 | 177670 | 0 | None | 2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648657 | 177670 | 0 | None | 2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650620 | 177670 | 0 | None | 2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 24894628 | 178544 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL471942 | 178544 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL554532 | 178544 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| 11819782 | 95442 | 0 | None | -10 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL259131 | 95442 | 0 | None | -10 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 170332 | 160429 | 1 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 71575652 | 85771 | 0 | None | -9 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312352 | 85771 | 0 | None | -9 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 138710717 | 177448 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 4 | 2 | 3 | 4.7 | O=C(Nc1ccc(F)cc1-c1ccccc1Cl)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| CHEMBL4646717 | 177448 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 4 | 2 | 3 | 4.7 | O=C(Nc1ccc(F)cc1-c1ccccc1Cl)OCC1CCNCC1 | 10.1021/acs.jmedchem.0c00297 | ||
| 10463948 | 83061 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1121 | 26 | 3 | 15 | 5.7 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm050459+ | ||
| CHEMBL220095 | 83061 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1121 | 26 | 3 | 15 | 5.7 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm050459+ | ||
| 44396260 | 155192 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1135 | 26 | 2 | 15 | 6.0 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm040800a | ||
| CHEMBL405526 | 155192 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1135 | 26 | 2 | 15 | 6.0 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm040800a | ||
| 164620907 | 187963 | 0 | None | -64 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4865939 | 187963 | 0 | None | -64 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028619 | 187963 | 0 | None | -64 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44593622 | 187213 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL495888 | 187213 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL556390 | 187213 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10024068 | 130828 | 0 | None | -1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 6 | 0 | 3 | 3.9 | CC(C)N(CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O)C(C)C | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL368792 | 130828 | 0 | None | -1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 6 | 0 | 3 | 3.9 | CC(C)N(CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O)C(C)C | 10.1016/S0960-894X(97)00143-1 | ||
| 107867 | 2927 | 48 | None | -5 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm301774u | ||
| 309 | 2927 | 48 | None | -5 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm301774u | ||
| CHEMBL17045 | 2927 | 48 | None | -5 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm301774u | ||
| 164628906 | 188031 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4877107 | 188031 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029079 | 188031 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155565286 | 175692 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4579642 | 175692 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595003 | 175692 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44593621 | 192694 | 0 | None | 2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524061 | 192694 | 0 | None | 2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44299635 | 100103 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL291562 | 100103 | 0 | None | -4 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 11809446 | 59367 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL172234 | 59367 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 164622017 | 187973 | 0 | None | -60 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4871563 | 187973 | 0 | None | -60 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028681 | 187973 | 0 | None | -60 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11110049 | 57932 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL168223 | 57932 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 71458105 | 79186 | 0 | None | 1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 234 | 2 | 0 | 2 | 1.5 | CN1CCCC[C@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL2114427 | 79186 | 0 | None | 1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 234 | 2 | 0 | 2 | 1.5 | CN1CCCC[C@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 135398737 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0309811 | ||
| 38 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0309811 | ||
| 722 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0309811 | ||
| CHEMBL42 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0309811 | ||
| DB00363 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm0309811 | ||
| 145960827 | 160833 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4126290 | 160833 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 14685523 | 37521 | 2 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 177 | 1 | 0 | 2 | 2.1 | c1coc(C2CN3CCC2CC3)c1 | 10.1021/jm00003a011 | ||
| CHEMBL14580 | 37521 | 2 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 177 | 1 | 0 | 2 | 2.1 | c1coc(C2CN3CCC2CC3)c1 | 10.1021/jm00003a011 | ||
| 44431375 | 86888 | 0 | None | -23 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 394 | 6 | 1 | 4 | 3.9 | CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233199 | 86888 | 0 | None | -23 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 394 | 6 | 1 | 4 | 3.9 | CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 9802631 | 111505 | 1 | None | -2570 | 5 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 3.7 | COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 | 10.1021/jm9601720 | ||
| CHEMBL328866 | 111505 | 1 | None | -2570 | 5 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 3.7 | COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 | 10.1021/jm9601720 | ||
| 71575450 | 85776 | 0 | None | -4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | COc1ccc(CCCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| CHEMBL2312364 | 85776 | 0 | None | -4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | COc1ccc(CCCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| 122194380 | 123493 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 7 | 2 | 3 | 3.2 | COc1ccc(CCNC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629539 | 123493 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 381 | 7 | 2 | 3 | 3.2 | COc1ccc(CCNC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 71458134 | 79278 | 0 | None | 1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | CN1CCC[C@@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL2115362 | 79278 | 0 | None | 1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | CN1CCC[C@@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 156013536 | 177736 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4639297 | 177736 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651058 | 177736 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44308809 | 202677 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 366 | 5 | 3 | 3 | 2.9 | NCC1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL71799 | 202677 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 366 | 5 | 3 | 3 | 2.9 | NCC1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 135398737 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm010982y | ||
| 38 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm010982y | ||
| 722 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm010982y | ||
| CHEMBL42 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm010982y | ||
| DB00363 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm010982y | ||
| 73345317 | 88866 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 962 | 23 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCC(=O)NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| CHEMBL2368391 | 88866 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 962 | 23 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCC(=O)NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| 13218688 | 91233 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(NCCN2CCOCC2)nnc1-c1ccccc1 | 10.1021/jm030480f | ||
| CHEMBL24083 | 91233 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(NCCN2CCOCC2)nnc1-c1ccccc1 | 10.1021/jm030480f | ||
| 71449089 | 78295 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 6 | 0 | 4 | 5.5 | CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)Oc1ccccc1)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL2112513 | 78295 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 6 | 0 | 4 | 5.5 | CN1C2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1[C@@H](C(=O)Oc1ccccc1)C2 | 10.1016/j.bmcl.2004.03.075 | ||
| 44384326 | 59563 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.5 | CC1CCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL172969 | 59563 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.5 | CC1CCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC1 | 10.1016/s0960-894x(99)00101-8 | ||
| 66561966 | 74354 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030625 | 74354 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| 44342204 | 9962 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 5.5 | O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm030646c | ||
| CHEMBL115253 | 9962 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 5.5 | O=C(NCCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2)c1ccccc1 | 10.1021/jm030646c | ||
| 10871388 | 102983 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 335 | 6 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1C[C@H](CCOC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL3084922 | 102983 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 335 | 6 | 0 | 2 | 5.1 | CN1[C@H]2CC[C@@H]1C[C@H](CCOC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| 2337 | 3205 | 72 | None | -18 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm0002432 | ||
| 50 | 3205 | 72 | None | -18 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm0002432 | ||
| 5002 | 3205 | 72 | None | -18 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm0002432 | ||
| CHEMBL716 | 3205 | 72 | None | -18 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm0002432 | ||
| DB01224 | 3205 | 72 | None | -18 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm0002432 | ||
| 9308 | 17572 | 16 | None | -10 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL1255785 | 17572 | 16 | None | -10 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL12587 | 17572 | 16 | None | -10 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL292911 | 17572 | 16 | None | -10 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| 44593624 | 187546 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498357 | 187546 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL554916 | 187546 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 71575118 | 85783 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 369 | 6 | 0 | 3 | 4.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312372 | 85783 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 369 | 6 | 0 | 3 | 4.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1 | 10.1021/jm301774u | ||
| 44299477 | 100250 | 0 | None | -95 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 191 | 2 | 0 | 4 | 0.6 | c1cnc(O[C@@H]2CN3CCC2C3)cn1 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL292574 | 100250 | 0 | None | -95 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 191 | 2 | 0 | 4 | 0.6 | c1cnc(O[C@@H]2CN3CCC2C3)cn1 | 10.1016/s0960-894x(99)00313-3 | ||
| 11120347 | 120217 | 0 | None | -1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL354841 | 120217 | 0 | None | -1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| 301 | 2498 | 16 | None | -9 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 9571002 | 2498 | 16 | None | -9 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL151938 | 2498 | 16 | None | -9 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 109035013 | 179893 | 1 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4752973 | 179893 | 1 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | ||
| 24894109 | 188441 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL509202 | 188441 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL551563 | 188441 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 44372222 | 13106 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 459 | 8 | 0 | 2 | 8.0 | CCCCc1cccc(N2C3CCC2CC(OC(c2ccccc2)c2cccc(Cl)c2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL1191208 | 13106 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 459 | 8 | 0 | 2 | 8.0 | CCCCc1cccc(N2C3CCC2CC(OC(c2ccccc2)c2cccc(Cl)c2)C3)c1 | 10.1021/jm000417f | ||
| CHEMBL542275 | 13106 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 459 | 8 | 0 | 2 | 8.0 | CCCCc1cccc(N2C3CCC2CC(OC(c2ccccc2)c2cccc(Cl)c2)C3)c1 | 10.1021/jm000417f | ||
| 10398843 | 36177 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 227 | 1 | 0 | 2 | 3.2 | c1ccc2oc(C3CN4CCC3CC4)cc2c1 | 10.1021/jm00003a011 | ||
| CHEMBL144693 | 36177 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 227 | 1 | 0 | 2 | 3.2 | c1ccc2oc(C3CN4CCC3CC4)cc2c1 | 10.1021/jm00003a011 | ||
| 44312081 | 202545 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 2.5 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCNCC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL71088 | 202545 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 2.5 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCNCC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 10465621 | 22260 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 207 | 3 | 0 | 5 | 0.8 | CCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL132503 | 22260 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 207 | 3 | 0 | 5 | 0.8 | CCCn1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 11796409 | 38155 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 420 | 7 | 2 | 3 | 4.2 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL146351 | 38155 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 420 | 7 | 2 | 3 | 4.2 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1 | 10.1021/jm0003135 | ||
| 44311718 | 202766 | 0 | None | -151 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 10 | 0 | 6 | 4.8 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72363 | 202766 | 0 | None | -151 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 10 | 0 | 6 | 4.8 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 10073022 | 85631 | 0 | None | -38 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 461 | 9 | 0 | 2 | 7.1 | Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| CHEMBL2308105 | 85631 | 0 | None | -38 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 461 | 9 | 0 | 2 | 7.1 | Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm990265s | ||
| 44448385 | 11805 | 0 | None | -4 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182633 | 11805 | 0 | None | -4 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257174 | 11805 | 0 | None | -4 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 10073022 | 85631 | 0 | None | -38 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 461 | 9 | 0 | 2 | 7.1 | Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| CHEMBL2308105 | 85631 | 0 | None | -38 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 461 | 9 | 0 | 2 | 7.1 | Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| 44383373 | 59078 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 4 | 0 | 4 | 3.0 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL170922 | 59078 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 4 | 0 | 4 | 3.0 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 9905731 | 167943 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 334 | 6 | 1 | 5 | 2.2 | CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL435353 | 167943 | 0 | None | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 334 | 6 | 1 | 5 | 2.2 | CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 155516383 | 176099 | 0 | None | -13 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4443219 | 176099 | 0 | None | -13 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4598230 | 176099 | 0 | None | -13 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 16086061 | 79808 | 0 | None | -630 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 690 | 10 | 2 | 5 | 4.6 | CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| CHEMBL213709 | 79808 | 0 | None | -630 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 690 | 10 | 2 | 5 | 4.6 | CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 611066 | 156967 | 1 | None | -1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 381 | 4 | 2 | 6 | 0.9 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCO)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL407975 | 156967 | 1 | None | -1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 381 | 4 | 2 | 6 | 0.9 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCO)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 44383492 | 59806 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 4 | 1 | 4 | 3.1 | C[C@H]1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CCN1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL173950 | 59806 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 4 | 1 | 4 | 3.1 | C[C@H]1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CCN1 | 10.1016/s0960-894x(99)00101-8 | ||
| 44313489 | 202924 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 4.6 | CCN(CC)CCOCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL73501 | 202924 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 4.6 | CCN(CC)CCOCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| 73350931 | 92102 | 0 | None | -12 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 2.4 | CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432040 | 92102 | 0 | None | -12 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 2.4 | CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 44450622 | 95389 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL258907 | 95389 | 0 | None | -4 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 10066369 | 119752 | 0 | None | -22 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL352375 | 119752 | 0 | None | -22 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 15196236 | 118695 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 229 | 1 | 0 | 2 | 2.3 | c1ccc2c(c1)CC(C1CN3CCC1CC3)O2 | 10.1021/jm00003a011 | ||
| CHEMBL343236 | 118695 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 229 | 1 | 0 | 2 | 2.3 | c1ccc2c(c1)CC(C1CN3CCC1CC3)O2 | 10.1021/jm00003a011 | ||
| 76309752 | 102997 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 342 | 4 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085019 | 102997 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 342 | 4 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| 9985181 | 119852 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 9 | 1 | 4 | 6.1 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL353140 | 119852 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 9 | 1 | 4 | 6.1 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(97)00109-1 | ||
| 155511112 | 168960 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4435123 | 168960 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 10180872 | 102654 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL307810 | 102654 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 10180872 | 102654 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL307810 | 102654 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44312451 | 104307 | 0 | None | -10 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL310912 | 104307 | 0 | None | -10 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 3929516 | 106886 | 2 | None | 1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL317757 | 106886 | 2 | None | 1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm00020a006 | ||
| 162677513 | 183162 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4789147 | 183162 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4803695 | 183162 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 10465525 | 115032 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 204 | 3 | 0 | 4 | 1.2 | C=CCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL335308 | 115032 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 204 | 3 | 0 | 4 | 1.2 | C=CCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 70685504 | 74105 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021478 | 74105 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027846 | 74105 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C | 10.1016/j.bmc.2008.06.025 | ||
| 135398737 | 944 | 89 | None | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| 38 | 944 | 89 | None | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| 722 | 944 | 89 | None | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| CHEMBL42 | 944 | 89 | None | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| DB00363 | 944 | 89 | None | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| 164614388 | 187913 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 889 | 23 | 12 | 11 | 0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4848683 | 187913 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 889 | 23 | 12 | 11 | 0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028251 | 187913 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 889 | 23 | 12 | 11 | 0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| 9827782 | 103078 | 0 | None | -72 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL308566 | 103078 | 0 | None | -72 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 9827782 | 103078 | 0 | None | -72 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL308566 | 103078 | 0 | None | -72 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 9799291 | 159573 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 2.9 | NCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL410890 | 159573 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 2.9 | NCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 11595794 | 135178 | 0 | None | 2 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 368 | 2 | 0 | 3 | 4.4 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 | 10.1021/jm050099q | ||
| CHEMBL372983 | 135178 | 0 | None | 2 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 368 | 2 | 0 | 3 | 4.4 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 | 10.1021/jm050099q | ||
| 44627852 | 13925 | 0 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197387 | 13925 | 0 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569712 | 13925 | 0 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 164623076 | 187982 | 0 | None | -17 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872608 | 187982 | 0 | None | -17 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028732 | 187982 | 0 | None | -17 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 118719921 | 115274 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354067 | 115274 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 44593626 | 187270 | 0 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496306 | 187270 | 0 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539121 | 187270 | 0 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10365639 | 120346 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 8 | 2 | 4 | 4.4 | CCNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL355874 | 120346 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 8 | 2 | 4 | 4.4 | CCNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/S0960-894X(97)00109-1 | ||
| 155518181 | 169694 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 5.2 | O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4446039 | 169694 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 5.2 | O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 71575219 | 85788 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 365 | 5 | 0 | 5 | 3.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312378 | 85788 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 365 | 5 | 0 | 5 | 3.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | ||
| 15050956 | 102455 | 0 | None | -3 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 8 | 1 | 7 | 3.4 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL306201 | 102455 | 0 | None | -3 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 8 | 1 | 7 | 3.4 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 164618698 | 187948 | 0 | None | -64 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862098 | 187948 | 0 | None | -64 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028512 | 187948 | 0 | None | -64 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 135409468 | 2004 | 63 | None | -22 | 40 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm201348t | ||
| 333 | 2004 | 63 | None | -22 | 40 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm201348t | ||
| CHEMBL845 | 2004 | 63 | None | -22 | 40 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm201348t | ||
| 44311786 | 102576 | 0 | None | -60 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 498 | 6 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL307234 | 102576 | 0 | None | -60 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 498 | 6 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44311761 | 102377 | 0 | None | -15 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 496 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL305607 | 102377 | 0 | None | -15 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 496 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 10092649 | 192471 | 51 | None | -54 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | -54 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 290 | 2438 | 4 | None | -6 | 7 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00050a006 | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00050a006 | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00050a006 | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00050a006 | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm00050a006 | ||
| 44318481 | 204225 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 253 | 1 | 0 | 4 | 1.1 | CC(=O)N(C)/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL84278 | 204225 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 253 | 1 | 0 | 4 | 1.1 | CC(=O)N(C)/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 22605936 | 100726 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 297 | 3 | 2 | 4 | 1.9 | Cc1cc(N2CCc3ccccc3C2)cc(NC(=O)CO)n1 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL295722 | 100726 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 297 | 3 | 2 | 4 | 1.9 | Cc1cc(N2CCc3ccccc3C2)cc(NC(=O)CO)n1 | 10.1016/s0960-894x(03)00232-4 | ||
| 44382840 | 120226 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 4 | 0 | 4 | 3.9 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC(C)O1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL354934 | 120226 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 4 | 0 | 4 | 3.9 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC(C)O1 | 10.1016/s0960-894x(99)00101-8 | ||
| 10969390 | 59365 | 0 | None | -83 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL172233 | 59365 | 0 | None | -83 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 109032820 | 182293 | 1 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4791819 | 182293 | 1 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 44448606 | 11813 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182652 | 11813 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL258385 | 11813 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 25067048 | 12227 | 0 | None | -47 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185245 | 12227 | 0 | None | -47 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL402207 | 12227 | 0 | None | -47 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 10092649 | 192471 | 51 | None | -54 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | -54 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 164615651 | 187927 | 0 | None | -77 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852079 | 187927 | 0 | None | -77 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028329 | 187927 | 0 | None | -77 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 1547484 | 927 | 70 | None | -10 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 927 | 70 | None | -10 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 927 | 70 | None | -10 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 927 | 70 | None | -10 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 927 | 70 | None | -10 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 10716120 | 38048 | 0 | None | -5 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 7 | 2 | 3 | 3.9 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@@H](F)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL146249 | 38048 | 0 | None | -5 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 7 | 2 | 3 | 3.9 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@@H](F)C2)CC1 | 10.1021/jm0003135 | ||
| 164620270 | 187957 | 0 | None | -52 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4869723 | 187957 | 0 | None | -52 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028587 | 187957 | 0 | None | -52 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 137630848 | 160569 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4061390 | 160569 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117131 | 160569 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 9816863 | 101203 | 6 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 4 | 2 | 4 | 2.0 | OCCNc1ccnc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL299294 | 101203 | 6 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 4 | 2 | 4 | 2.0 | OCCNc1ccnc(N2CCc3ccccc3C2)c1 | 10.1016/s0960-894x(03)00007-6 | ||
| 44267764 | 10944 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 6 | 0 | 2 | 6.4 | Fc1ccc(CN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm970525a | ||
| CHEMBL11768 | 10944 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 6 | 0 | 2 | 6.4 | Fc1ccc(CN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm970525a | ||
| 44342076 | 110883 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 9 | 0 | 4 | 6.3 | Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2cccs2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| CHEMBL327055 | 110883 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 9 | 0 | 4 | 6.3 | Fc1ccc(C(OC2CC3CCC(C2)N3CCOCc2cccs2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| 446220 | 132998 | 13 | None | -446 | 45 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL370805 | 132998 | 13 | None | -446 | 45 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL4520788 | 212225 | 6 | None | -28 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
| 446220 | 132998 | 13 | None | -446 | 45 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | 10.1021/jm030646c | ||
| CHEMBL370805 | 132998 | 13 | None | -446 | 45 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | 10.1021/jm030646c | ||
| 446220 | 132998 | 13 | None | -446 | 45 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | 10.1021/jm060762q | ||
| CHEMBL370805 | 132998 | 13 | None | -446 | 45 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | 10.1021/jm060762q | ||
| 44437256 | 12290 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 4 | 0 | 4 | 2.8 | C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185707 | 12290 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 4 | 0 | 4 | 2.8 | C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL428916 | 12290 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 4 | 0 | 4 | 2.8 | C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1 | 10.1016/j.bmc.2007.09.003 | ||
| 71574275 | 85730 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CN(C)CC2)cc1OC | 10.1021/jm301774u | ||
| CHEMBL2311983 | 85730 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CN(C)CC2)cc1OC | 10.1021/jm301774u | ||
| 164622564 | 187976 | 0 | None | -25 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862221 | 187976 | 0 | None | -25 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028706 | 187976 | 0 | None | -25 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 71454469 | 78297 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 3.7 | COS(=O)(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL2112515 | 78297 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 3.7 | COS(=O)(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| 71575649 | 85769 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 367 | 7 | 0 | 5 | 3.4 | COc1ccc(OCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| CHEMBL2312349 | 85769 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 367 | 7 | 0 | 5 | 3.4 | COc1ccc(OCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| 10354968 | 12964 | 1 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2cc(-c3ccccc3)cnn2)CC1 | 10.1021/jm9705418 | ||
| CHEMBL1190173 | 12964 | 1 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2cc(-c3ccccc3)cnn2)CC1 | 10.1021/jm9705418 | ||
| CHEMBL540310 | 12964 | 1 | None | 1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2cc(-c3ccccc3)cnn2)CC1 | 10.1021/jm9705418 | ||
| 44576436 | 187113 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 367 | 4 | 0 | 6 | 1.2 | CN1CCC=C(C2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL495247 | 187113 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 367 | 4 | 0 | 6 | 1.2 | CN1CCC=C(C2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 176 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 394 | 63 | None | -1 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2337 | 3205 | 72 | None | -18 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3205 | 72 | None | -18 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3205 | 72 | None | -18 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3205 | 72 | None | -18 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3205 | 72 | None | -18 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 44313626 | 202862 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 399 | 7 | 0 | 4 | 4.8 | O=C(OCOCCN1CCCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL73017 | 202862 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 399 | 7 | 0 | 4 | 4.8 | O=C(OCOCCN1CCCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| 137629887 | 160463 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4065555 | 160463 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116259 | 160463 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 324 | 1894 | 12 | None | -13 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00566-8 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00566-8 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00566-8 | ||
| 10770914 | 24857 | 0 | None | -213 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL134692 | 24857 | 0 | None | -213 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 162663507 | 181438 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 821 | 15 | 3 | 9 | 5.3 | O=C(CCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4780759 | 181438 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 821 | 15 | 3 | 9 | 5.3 | O=C(CCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1 | 10.1039/d0md00137f | ||
| 16094793 | 82909 | 0 | None | 1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| CHEMBL219118 | 82909 | 0 | None | 1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| 11111451 | 102982 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 370 | 6 | 1 | 2 | 4.9 | CN1[C@H]2CC[C@@H]1C[C@H](CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL3084921 | 102982 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 370 | 6 | 1 | 2 | 4.9 | CN1[C@H]2CC[C@@H]1C[C@H](CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm0101592 | ||
| 44309108 | 102620 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 372 | 4 | 3 | 3 | 3.6 | O=C(Nc1ccc2c(c1)CNC2)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL307554 | 102620 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 372 | 4 | 3 | 3 | 3.6 | O=C(Nc1ccc2c(c1)CNC2)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 155524809 | 170406 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 5 | 0 | 5 | 3.7 | O=C(OCCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4456047 | 170406 | 0 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 5 | 0 | 5 | 3.7 | O=C(OCCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 10916223 | 13103 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 357 | 12 | 0 | 8 | 1.7 | CCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1191178 | 13103 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 357 | 12 | 0 | 8 | 1.7 | CCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL542240 | 13103 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 357 | 12 | 0 | 8 | 1.7 | CCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 44339685 | 109975 | 0 | None | -1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| CHEMBL324725 | 109975 | 0 | None | -1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| 44285864 | 99915 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.5 | C[C@@H]1CC2(CO1)CN1CCC2CC1 | 10.1021/jm00087a007 | ||
| CHEMBL289894 | 99915 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.5 | C[C@@H]1CC2(CO1)CN1CCC2CC1 | 10.1021/jm00087a007 | ||
| 129993 | 100062 | 6 | None | -16 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL291280 | 100062 | 6 | None | -16 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 9819674 | 12825 | 0 | None | -891 | 5 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 347 | 3 | 1 | 5 | 2.4 | OCCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1 | 10.1021/jm010982y | ||
| CHEMBL118919 | 12825 | 0 | None | -891 | 5 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 347 | 3 | 1 | 5 | 2.4 | OCCN1CCN(C2Cn3cccc3Sc3ccc(F)cc32)CC1 | 10.1021/jm010982y | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 162353374 | 179463 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4747590 | 179463 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 7022778 | 172214 | 10 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| CHEMBL451335 | 172214 | 10 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| 3198 | 203802 | 73 | None | -12 | 34 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 203802 | 73 | None | -12 | 34 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 203802 | 73 | None | -12 | 34 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 44568347 | 191055 | 0 | None | -3 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL519609 | 191055 | 0 | None | -3 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 124087 | 1362 | 106 | None | -8 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1362 | 106 | None | -8 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1362 | 106 | None | -8 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1362 | 106 | None | -8 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1362 | 106 | None | -8 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 156012936 | 177721 | 0 | None | 3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4639004 | 177721 | 0 | None | 3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650969 | 177721 | 0 | None | 3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44386876 | 130041 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 2.6 | O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL368109 | 130041 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 2.6 | O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00143-1 | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| 44392978 | 122047 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 357 | 3 | 0 | 3 | 4.9 | CCN1C(C/C=C2/[C@H]3CCCCC3=C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL360154 | 122047 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 357 | 3 | 0 | 3 | 4.9 | CCN1C(C/C=C2/[C@H]3CCCCC3=C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C | 10.1016/j.bmcl.2004.05.047 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 14956870 | 13630 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 284 | 4 | 0 | 6 | 0.4 | COC(=O)CCCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL1195190 | 13630 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 284 | 4 | 0 | 6 | 0.4 | COC(=O)CCCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL554011 | 13630 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 284 | 4 | 0 | 6 | 0.4 | COC(=O)CCCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| 44576437 | 172089 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 367 | 4 | 0 | 6 | 1.2 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL449738 | 172089 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 367 | 4 | 0 | 6 | 1.2 | CN1CCC=C(C2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 162675053 | 182676 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4796491 | 182676 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | ||
| 1212 | 1632 | 45 | None | -691 | 65 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1632 | 45 | None | -691 | 65 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1632 | 45 | None | -691 | 65 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1632 | 45 | None | -691 | 65 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1632 | 45 | None | -691 | 65 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 12071092 | 12932 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 5.4 | Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 | 10.1021/jm000417f | ||
| CHEMBL1189969 | 12932 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 5.4 | Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 | 10.1021/jm000417f | ||
| CHEMBL539829 | 12932 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 5.4 | Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 | 10.1021/jm000417f | ||
| 16086001 | 138684 | 0 | None | -380 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 716 | 11 | 2 | 5 | 5.0 | O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL378772 | 138684 | 0 | None | -380 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 716 | 11 | 2 | 5 | 5.0 | O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 3028236 | 102126 | 1 | None | -36 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 9 | 0 | 2 | 4.2 | CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377383 | 102126 | 1 | None | -36 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 9 | 0 | 2 | 4.2 | CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL3041159 | 102126 | 1 | None | -36 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 9 | 0 | 2 | 4.2 | CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 10759971 | 64922 | 0 | None | -5 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL182761 | 64922 | 0 | None | -5 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 22605922 | 183667 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 244 | 1 | 0 | 2 | 3.3 | Clc1cccc2c1CN(c1ccncc1)CC2 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL48366 | 183667 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 244 | 1 | 0 | 2 | 3.3 | Clc1cccc2c1CN(c1ccncc1)CC2 | 10.1016/s0960-894x(03)00232-4 | ||
| 44285542 | 140920 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.5 | C[C@H]1CC2(CO1)CN1CCC2CC1 | 10.1021/jm00087a007 | ||
| CHEMBL38423 | 140920 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.5 | C[C@H]1CC2(CO1)CN1CCC2CC1 | 10.1021/jm00087a007 | ||
| 9943680 | 58408 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 2 | 4 | 2.4 | Cc1cnc(N2CCc3ccccc3C2)cc1NCCO | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL168496 | 58408 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 2 | 4 | 2.4 | Cc1cnc(N2CCc3ccccc3C2)cc1NCCO | 10.1016/s0960-894x(03)00007-6 | ||
| 44318547 | 204179 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 267 | 3 | 1 | 4 | 1.5 | CCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL83905 | 204179 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 267 | 3 | 1 | 4 | 1.5 | CCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 46886613 | 8946 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 331 | 3 | 0 | 5 | 1.7 | CN1CCC=C(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| CHEMBL1098607 | 8946 | 0 | None | - | 1 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 331 | 3 | 0 | 5 | 1.7 | CN1CCC=C(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 | 10.1016/j.bmc.2009.06.032 | ||
| 4746 | 203183 | 29 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL1334033 | 203183 | 29 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL75880 | 203183 | 29 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| 9894173 | 14981 | 2 | None | -741 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm301774u | ||
| CHEMBL12098 | 14981 | 2 | None | -741 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm301774u | ||
| 44286172 | 143940 | 0 | None | -1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 166 | 2 | 1 | 2 | -0.2 | CNCC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL39067 | 143940 | 0 | None | -1 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 166 | 2 | 1 | 2 | -0.2 | CNCC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 19021478 | 192096 | 0 | None | -5 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 4 | 1 | 3 | 4.5 | CNC(=O)Oc1cccc2c1CCC1C2CCN1CCC1CCCCC1 | 10.1016/j.ejmech.2022.114606 | ||
| CHEMBL5219452 | 192096 | 0 | None | -5 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 356 | 4 | 1 | 3 | 4.5 | CNC(=O)Oc1cccc2c1CCC1C2CCN1CCC1CCCCC1 | 10.1016/j.ejmech.2022.114606 | ||
| 15678860 | 101913 | 0 | None | -1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 9 | 2 | 6 | 2.8 | NCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL303876 | 101913 | 0 | None | -1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 9 | 2 | 6 | 2.8 | NCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 22605935 | 186210 | 1 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 244 | 1 | 0 | 2 | 3.3 | Clc1cccc2c1CCN(c1ccncc1)C2 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL48915 | 186210 | 1 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 244 | 1 | 0 | 2 | 3.3 | Clc1cccc2c1CCN(c1ccncc1)C2 | 10.1016/s0960-894x(03)00232-4 | ||
| 10572658 | 121466 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL359197 | 121466 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 145961126 | 161005 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128764 | 161005 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL69452 | 202276 | 0 | None | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | ||
| 146025727 | 171119 | 0 | None | -245 | 27 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4466483 | 171119 | 0 | None | -245 | 27 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 2166 | 3074 | 46 | None | -1230 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| 305 | 3074 | 46 | None | -1230 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| 5910 | 3074 | 46 | None | -1230 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL550 | 3074 | 46 | None | -1230 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| DB01085 | 3074 | 46 | None | -1230 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| 44379508 | 57856 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 664 | 9 | 1 | 4 | 6.6 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1cccc(I)c1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL168145 | 57856 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 664 | 9 | 1 | 4 | 6.6 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1cccc(I)c1 | 10.1016/S0960-894X(97)00109-1 | ||
| 164621814 | 187971 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4867301 | 187971 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028667 | 187971 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 145961495 | 160899 | 0 | None | 2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4127373 | 160899 | 0 | None | 2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 122194374 | 123490 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 367 | 7 | 0 | 4 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629534 | 123490 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 367 | 7 | 0 | 4 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 15050950 | 202359 | 0 | None | 1 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 1.1 | CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL70003 | 202359 | 0 | None | 1 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 1.1 | CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 15895262 | 186491 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 319 | 4 | 2 | 4 | 3.2 | OCCNc1cc(N2CCc3ccccc3C2)c2ccccc2n1 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL49124 | 186491 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 319 | 4 | 2 | 4 | 3.2 | OCCNc1cc(N2CCc3ccccc3C2)c2ccccc2n1 | 10.1016/s0960-894x(03)00232-4 | ||
| 12071087 | 13138 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 417 | 6 | 0 | 2 | 6.6 | Clc1cccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)c1 | 10.1021/jm000417f | ||
| CHEMBL1191425 | 13138 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 417 | 6 | 0 | 2 | 6.6 | Clc1cccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)c1 | 10.1021/jm000417f | ||
| CHEMBL542521 | 13138 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 417 | 6 | 0 | 2 | 6.6 | Clc1cccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccccc2)c1 | 10.1021/jm000417f | ||
| 156011518 | 177763 | 0 | None | 2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4637731 | 177763 | 0 | None | 2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651208 | 177763 | 0 | None | 2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 57326144 | 76838 | 0 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042402 | 76838 | 0 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079061 | 76838 | 0 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 156015051 | 177753 | 0 | None | -16 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4643329 | 177753 | 0 | None | -16 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651139 | 177753 | 0 | None | -16 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156009660 | 177754 | 0 | None | -16 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634475 | 177754 | 0 | None | -16 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651150 | 177754 | 0 | None | -16 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 46227461 | 14021 | 0 | None | -2 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198077 | 14021 | 0 | None | -2 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL594803 | 14021 | 0 | None | -2 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 2774 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 5593 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 7319 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| CHEMBL1200604 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB00809 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB01199 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 44392933 | 165750 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.3 | C[C@H]1CCC[C@H](CC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)N1 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL427145 | 165750 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.3 | C[C@H]1CCC[C@H](CC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)N1 | 10.1016/j.bmcl.2004.05.047 | ||
| 10324012 | 203000 | 0 | None | -263 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL74117 | 203000 | 0 | None | -263 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44387172 | 130132 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 4 | 0 | 3 | 2.0 | CCN(CC)CC#CCN1C(=O)CC2(CCc3ccccc32)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL368190 | 130132 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 4 | 0 | 3 | 2.0 | CCN(CC)CC#CCN1C(=O)CC2(CCc3ccccc32)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| 14964498 | 13774 | 0 | None | -6 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL119615 | 13774 | 0 | None | -6 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 199230 | 162585 | 18 | None | -37 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| CHEMBL41779 | 162585 | 18 | None | -37 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| 9835485 | 101472 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 2 | 4 | 2.4 | Cc1cc(N2CCc3ccccc3C2)cc(NCCO)n1 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL301162 | 101472 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 283 | 4 | 2 | 4 | 2.4 | Cc1cc(N2CCc3ccccc3C2)cc(NCCO)n1 | 10.1016/s0960-894x(03)00232-4 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 1016 | 3690 | 75 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3690 | 75 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3690 | 75 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3690 | 75 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3690 | 75 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3690 | 75 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 44267781 | 9916 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 465 | 8 | 0 | 2 | 6.8 | Fc1ccc(CCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm990265s | ||
| CHEMBL11497 | 9916 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 465 | 8 | 0 | 2 | 6.8 | Fc1ccc(CCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)cc1 | 10.1021/jm990265s | ||
| 71452793 | 79245 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2115127 | 79245 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 12071093 | 13208 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 367 | 6 | 0 | 2 | 5.6 | C=CCN1C2CCC1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2 | 10.1021/jm000417f | ||
| CHEMBL1192050 | 13208 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 367 | 6 | 0 | 2 | 5.6 | C=CCN1C2CCC1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2 | 10.1021/jm000417f | ||
| CHEMBL543231 | 13208 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 367 | 6 | 0 | 2 | 5.6 | C=CCN1C2CCC1CC(OC(c1ccccc1)c1cccc(Cl)c1)C2 | 10.1021/jm000417f | ||
| 44405301 | 72146 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 849 | 17 | 3 | 9 | 5.6 | O=C(CCCCCNC(=O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3cccs3)C=CC1=C2)NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm050459+ | ||
| CHEMBL198982 | 72146 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 849 | 17 | 3 | 9 | 5.6 | O=C(CCCCCNC(=O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3cccs3)C=CC1=C2)NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm050459+ | ||
| 44396257 | 126647 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 865 | 19 | 3 | 9 | 6.0 | C[N+]1=C(CCC(=O)NCCCCCC(=O)NCCCCN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)C=C/C1=C/c1ccc(-c2cccs2)n1[BH-](F)F | 10.1021/jm040800a | ||
| CHEMBL365702 | 126647 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 865 | 19 | 3 | 9 | 6.0 | C[N+]1=C(CCC(=O)NCCCCCC(=O)NCCCCN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)C=C/C1=C/c1ccc(-c2cccs2)n1[BH-](F)F | 10.1021/jm040800a | ||
| 44299369 | 100194 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL292222 | 100194 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 155549890 | 173336 | 0 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4540291 | 173336 | 0 | None | 1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 164617650 | 187936 | 0 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 676 | 13 | 8 | 9 | -0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4860171 | 187936 | 0 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 676 | 13 | 8 | 9 | -0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028445 | 187936 | 0 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 676 | 13 | 8 | 9 | -0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44437308 | 12221 | 0 | None | -14 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185188 | 12221 | 0 | None | -14 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL396845 | 12221 | 0 | None | -14 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| 155563061 | 174729 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4573269 | 174729 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 9926604 | 193194 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL54002 | 193194 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 164617401 | 187935 | 0 | None | -19 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 900 | 16 | 9 | 12 | -0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852646 | 187935 | 0 | None | -19 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 900 | 16 | 9 | 12 | -0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028427 | 187935 | 0 | None | -19 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 900 | 16 | 9 | 12 | -0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| 137628879 | 160425 | 0 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4068393 | 160425 | 0 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4079233 | 160425 | 0 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4115977 | 160425 | 0 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| 162645430 | 183045 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4744233 | 183045 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802409 | 183045 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 10428089 | 102972 | 0 | None | 5 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 352 | 5 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084899 | 102972 | 0 | None | 5 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 352 | 5 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 | 10.1021/jm00020a006 | ||
| 10336882 | 102973 | 0 | None | 10 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 332 | 4 | 0 | 3 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C#N)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084900 | 102973 | 0 | None | 10 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 332 | 4 | 0 | 3 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C#N)cc1)C2 | 10.1021/jm00020a006 | ||
| 11968014 | 12649 | 4 | None | -5 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm301774u | ||
| CHEMBL1187846 | 12649 | 4 | None | -5 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm301774u | ||
| 11124824 | 32031 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 522 | 12 | 0 | 10 | 5.7 | CN1CCC=C(c2nsnc2SCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL140985 | 32031 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 522 | 12 | 0 | 10 | 5.7 | CN1CCC=C(c2nsnc2SCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 10104311 | 24115 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 202 | 2 | 0 | 4 | 0.6 | C#CCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL134063 | 24115 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 202 | 2 | 0 | 4 | 0.6 | C#CCn1ncc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 410345 | 89373 | 3 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 333 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377269 | 89373 | 3 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 333 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 164610955 | 187885 | 0 | None | -28 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 661 | 15 | 6 | 8 | 2.3 | N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4858398 | 187885 | 0 | None | -28 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 661 | 15 | 6 | 8 | 2.3 | N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028048 | 187885 | 0 | None | -28 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 661 | 15 | 6 | 8 | 2.3 | N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| 76309752 | 114923 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 342 | 4 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3350391 | 114923 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 342 | 4 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| 15599352 | 108136 | 0 | None | 2 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC1C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL320611 | 108136 | 0 | None | 2 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC1C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 1687 | 103930 | 15 | None | 15 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| CHEMBL310310 | 103930 | 15 | None | 15 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| CHEMBL540034 | 103930 | 15 | None | 15 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm000417f | ||
| 2683 | 102415 | 24 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102415 | 24 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102415 | 24 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 122203596 | 155265 | 0 | None | -6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4059733 | 155265 | 0 | None | -6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4066481 | 155265 | 0 | None | -6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 155535972 | 171556 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4472832 | 171556 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.12.022 | ||
| 155536739 | 171649 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 384 | 5 | 0 | 4 | 4.1 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4473985 | 171649 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 384 | 5 | 0 | 4 | 4.1 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 10598540 | 38094 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 6 | 2 | 3 | 5.0 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL146291 | 38094 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 6 | 2 | 3 | 5.0 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 44379281 | 57242 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 506 | 9 | 1 | 5 | 5.3 | CCOC(=O)N(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL166385 | 57242 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 506 | 9 | 1 | 5 | 5.3 | CCOC(=O)N(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/S0960-894X(97)00109-1 | ||
| 10096017 | 102970 | 0 | None | -1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 4 | 0 | 2 | 5.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Br)cc1)c1ccc(Br)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084897 | 102970 | 0 | None | -1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 4 | 0 | 2 | 5.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Br)cc1)c1ccc(Br)cc1)C2 | 10.1021/jm00020a006 | ||
| 44577946 | 178038 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.5 | CN1CCC=C(C2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL467377 | 178038 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.5 | CN1CCC=C(C2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 44318930 | 105691 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| CHEMBL313738 | 105691 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| 71461680 | 79125 | 0 | None | 2 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CC(=O)O[C@H]1CC2CC1N(Cc1ccccc1)C2 | 10.1021/jm00090a006 | ||
| CHEMBL2114059 | 79125 | 0 | None | 2 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CC(=O)O[C@H]1CC2CC1N(Cc1ccccc1)C2 | 10.1021/jm00090a006 | ||
| 12488 | 1627 | 51 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 941361 | 1627 | 51 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| CHEMBL30008 | 1627 | 51 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| DB04841 | 1627 | 51 | None | -11 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 10101246 | 9455 | 0 | None | 81 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL112297 | 9455 | 0 | None | 81 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 44274302 | 76714 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL20732 | 76714 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 44448500 | 12228 | 0 | None | -5 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185248 | 12228 | 0 | None | -5 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL402282 | 12228 | 0 | None | -5 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 16045794 | 80005 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 564 | 11 | 0 | 6 | 6.4 | CN1C2CCC1[C@@H](COC(=O)CCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| CHEMBL214574 | 80005 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 564 | 11 | 0 | 6 | 6.4 | CN1C2CCC1[C@@H](COC(=O)CCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm060762q | ||
| 16086063 | 80150 | 0 | None | -371 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 744 | 11 | 2 | 5 | 5.8 | O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL214898 | 80150 | 0 | None | -371 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 744 | 11 | 2 | 5 | 5.8 | O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 10204457 | 202698 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 453 | 6 | 0 | 6 | 4.0 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71971 | 202698 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 453 | 6 | 0 | 6 | 4.0 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 11819883 | 120478 | 2 | None | 2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 191 | 1 | 0 | 2 | 2.8 | C1=C(c2ccsc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL356321 | 120478 | 2 | None | 2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 191 | 1 | 0 | 2 | 2.8 | C1=C(c2ccsc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 155516095 | 169489 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 5 | 0 | 4 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4442996 | 169489 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 5 | 0 | 4 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 137628799 | 160446 | 0 | None | -7 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4064668 | 160446 | 0 | None | -7 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116150 | 160446 | 0 | None | -7 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44337638 | 110077 | 0 | None | 1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| CHEMBL325322 | 110077 | 0 | None | 1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| 10574041 | 39583 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 6 | 2 | 4 | 3.7 | O=C(NC1CCN(Cc2ccoc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147695 | 39583 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 6 | 2 | 4 | 3.7 | O=C(NC1CCN(Cc2ccoc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 9877750 | 189167 | 3 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 210 | 1 | 0 | 2 | 2.6 | c1ccc2c(c1)CCN(c1ccncc1)C2 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL51594 | 189167 | 3 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 210 | 1 | 0 | 2 | 2.6 | c1ccc2c(c1)CCN(c1ccncc1)C2 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL5092328 | 213585 | 3 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | CCS(=O)(=O)[C@]1(C)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2F)N=C1N | 10.1021/acs.jmedchem.1c00935 | ||||
| 44337748 | 9305 | 0 | None | -1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| CHEMBL111529 | 9305 | 0 | None | -1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| 71456216 | 78294 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 443 | 7 | 0 | 4 | 5.1 | CC(C)COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL2112512 | 78294 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 443 | 7 | 0 | 4 | 5.1 | CC(C)COC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| 164626977 | 188014 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.9 | NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4874412 | 188014 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.9 | NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028969 | 188014 | 0 | None | -4 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.9 | NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44448419 | 12230 | 0 | None | 1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185266 | 12230 | 0 | None | 1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL403592 | 12230 | 0 | None | 1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 137636830 | 160677 | 0 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 220 | 4 | 0 | 1 | 2.5 | COc1cccc(C2CC2C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4061384 | 160677 | 0 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 220 | 4 | 0 | 1 | 2.5 | COc1cccc(C2CC2C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117956 | 160677 | 0 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 220 | 4 | 0 | 1 | 2.5 | COc1cccc(C2CC2C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44437298 | 11782 | 0 | None | -33 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182460 | 11782 | 0 | None | -33 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239436 | 11782 | 0 | None | -33 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 2551 | 782 | 23 | None | 3 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 298 | 782 | 23 | None | 3 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 488 | 782 | 23 | None | 3 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| CHEMBL965 | 782 | 23 | None | 3 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| DB00411 | 782 | 23 | None | 3 | 11 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960467d | ||
| 44593616 | 192611 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL523518 | 192611 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44311987 | 202896 | 0 | None | -162 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 8 | 0 | 6 | 4.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL73245 | 202896 | 0 | None | -162 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 532 | 8 | 0 | 6 | 4.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44309107 | 101705 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.4 | NCc1ccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)cc1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL302720 | 101705 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.4 | NCc1ccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)cc1 | 10.1016/s0960-894x(03)00350-0 | ||
| 118500 | 156457 | 57 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 165 | 4 | 1 | 2 | 1.5 | CNCCc1cccc(OC)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4073256 | 156457 | 57 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 165 | 4 | 1 | 2 | 1.5 | CNCCc1cccc(OC)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 15196233 | 120602 | 0 | None | 2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 233 | 2 | 1 | 3 | 1.6 | COc1ccccc1C1(O)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL357404 | 120602 | 0 | None | 2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 233 | 2 | 1 | 3 | 1.6 | COc1ccccc1C1(O)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 10066369 | 119752 | 0 | None | -22 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL352375 | 119752 | 0 | None | -22 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 24894630 | 188382 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL508347 | 188382 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL555475 | 188382 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 44422697 | 11747 | 0 | None | -14 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182277 | 11747 | 0 | None | -14 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL227429 | 11747 | 0 | None | -14 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 2353 | 100643 | 75 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL12089 | 100643 | 75 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| CHEMBL295124 | 100643 | 75 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 2 | 0 | 4 | 3.1 | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 | nan | ||
| 7333 | 98898 | 76 | None | 3 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 2 | 3 | 1 | 3.8 | Cc1ccccc1NC(=N)Nc1ccccc1C | 10.1021/jm00039a008 | ||
| CHEMBL282433 | 98898 | 76 | None | 3 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 2 | 3 | 1 | 3.8 | Cc1ccccc1NC(=N)Nc1ccccc1C | 10.1021/jm00039a008 | ||
| 73355415 | 92101 | 0 | None | -38 | 13 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432039 | 92101 | 0 | None | -38 | 13 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| 44299328 | 100360 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL293345 | 100360 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 10451634 | 202745 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 10 | 0 | 4 | 4.1 | CCN(CC)CCOCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL72219 | 202745 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 10 | 0 | 4 | 4.1 | CCN(CC)CCOCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 | 10.1021/jm00041a006 | ||
| 10597259 | 118752 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 402 | 7 | 2 | 3 | 3.9 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL343644 | 118752 | 0 | None | -3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 402 | 7 | 2 | 3 | 3.9 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1 | 10.1021/jm0003135 | ||
| 15050959 | 202383 | 0 | None | -1 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 534 | 13 | 2 | 6 | 4.2 | CC(=O)NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL70154 | 202383 | 0 | None | -1 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 534 | 13 | 2 | 6 | 4.2 | CC(=O)NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 10033774 | 56252 | 0 | None | -1 | 4 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 927 | 31 | 0 | 8 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL163901 | 56252 | 0 | None | -1 | 4 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 927 | 31 | 0 | 8 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| 10457079 | 9935 | 0 | None | 4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL115078 | 9935 | 0 | None | 4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 164621861 | 187972 | 0 | None | -16 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4868124 | 187972 | 0 | None | -16 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028673 | 187972 | 0 | None | -16 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162353383 | 181995 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4787944 | 181995 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | ||
| 135430667 | 4889 | 0 | None | -123 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 402 | 2 | 1 | 6 | 4.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)OC21 | 10.1021/jm011116o | ||
| CHEMBL104803 | 4889 | 0 | None | -123 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 402 | 2 | 1 | 6 | 4.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)OC21 | 10.1021/jm011116o | ||
| 2562 | 202893 | 47 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/acs.jmedchem.0c01192 | ||
| CHEMBL1256696 | 202893 | 47 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/acs.jmedchem.0c01192 | ||
| CHEMBL73234 | 202893 | 47 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/acs.jmedchem.0c01192 | ||
| 2562 | 202893 | 47 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL1256696 | 202893 | 47 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL73234 | 202893 | 47 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| 44308799 | 202331 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 3.5 | CN(C)CCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69765 | 202331 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 3.5 | CN(C)CCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 155528419 | 170762 | 0 | None | -3 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4461216 | 170762 | 0 | None | -3 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 44318856 | 204277 | 0 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 253 | 2 | 1 | 4 | 1.1 | CCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL84825 | 204277 | 0 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 253 | 2 | 1 | 4 | 1.1 | CCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 44457861 | 166389 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 4.9 | CC(C)OC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| CHEMBL428704 | 166389 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 4.9 | CC(C)OC(=O)C1C(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC2CCC1N2C | 10.1016/s0960-894x(02)00155-5 | ||
| 44437249 | 11767 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182436 | 11767 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL238825 | 11767 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| 44386115 | 130916 | 0 | None | -37 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 650 | 16 | 3 | 4 | 6.2 | O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL369062 | 130916 | 0 | None | -37 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 650 | 16 | 3 | 4 | 6.2 | O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 44312152 | 202445 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 6 | 1 | 5 | 2.2 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(CCO)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL70531 | 202445 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 374 | 6 | 1 | 5 | 2.2 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(CCO)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 10420105 | 116560 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 192 | 3 | 1 | 4 | 1.1 | CCCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL339175 | 116560 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 192 | 3 | 1 | 4 | 1.1 | CCCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 118719920 | 115273 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354066 | 115273 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 155540315 | 172344 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4516350 | 172344 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 155562295 | 174578 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 5 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4570052 | 174578 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 5 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 10375325 | 115794 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 192 | 2 | 0 | 4 | 1.0 | CCn1cc(C2=CCCN(C)C2)nn1 | 10.1021/jm00050a006 | ||
| CHEMBL335920 | 115794 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 192 | 2 | 0 | 4 | 1.0 | CCn1cc(C2=CCCN(C)C2)nn1 | 10.1021/jm00050a006 | ||
| 10421982 | 204322 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| CHEMBL85190 | 204322 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| 574784 | 103120 | 2 | None | 1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 2.0 | CCN1C(=O)c2ccccc2N(C(=O)CN2CCN(C)CC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| CHEMBL308650 | 103120 | 2 | None | 1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 2.0 | CCN1C(=O)c2ccccc2N(C(=O)CN2CCN(C)CC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| 1209 | 1628 | 69 | None | -44 | 31 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 203 | 1628 | 69 | None | -44 | 31 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 3386 | 1628 | 69 | None | -44 | 31 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| CHEMBL41 | 1628 | 69 | None | -44 | 31 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| DB00472 | 1628 | 69 | None | -44 | 31 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 24810004 | 16373 | 0 | None | -14 | 4 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 6 | 0 | 2 | 6.3 | Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| CHEMBL12375 | 16373 | 0 | None | -14 | 4 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 6 | 0 | 2 | 6.3 | Fc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm970525a | ||
| 44448575 | 11812 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182650 | 11812 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL258161 | 11812 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 24894515 | 176296 | 4 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL461502 | 176296 | 4 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| 11123059 | 102981 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 10 | 0 | 2 | 7.1 | c1ccc(CCCN2[C@H]3CC[C@@H]2C[C@H](CCOC(c2ccccc2)c2ccccc2)C3)cc1 | 10.1021/jm0101592 | ||
| CHEMBL3084920 | 102981 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 10 | 0 | 2 | 7.1 | c1ccc(CCCN2[C@H]3CC[C@@H]2C[C@H](CCOC(c2ccccc2)c2ccccc2)C3)cc1 | 10.1021/jm0101592 | ||
| 3055 | 1405 | 43 | None | 1 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 313 | 1405 | 43 | None | 1 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 7163 | 1405 | 43 | None | 1 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| CHEMBL936 | 1405 | 43 | None | 1 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| DB01231 | 1405 | 43 | None | 1 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 155516845 | 169542 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.4 | O=C(OCCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4443613 | 169542 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.4 | O=C(OCCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 44318736 | 106538 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| CHEMBL315428 | 106538 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| 137628800 | 160447 | 0 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 248 | 4 | 0 | 1 | 2.8 | C[N+](C)(C)CCc1cccc(OC(F)(F)F)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4089027 | 160447 | 0 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 248 | 4 | 0 | 1 | 2.8 | C[N+](C)(C)CCc1cccc(OC(F)(F)F)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116151 | 160447 | 0 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 248 | 4 | 0 | 1 | 2.8 | C[N+](C)(C)CCc1cccc(OC(F)(F)F)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 12343449 | 13754 | 2 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 198 | 1 | 1 | 4 | 0.1 | CCN1C(=O)OC2(CCNCC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL1195991 | 13754 | 2 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 198 | 1 | 1 | 4 | 0.1 | CCN1C(=O)OC2(CCNCC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL555730 | 13754 | 2 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 198 | 1 | 1 | 4 | 0.1 | CCN1C(=O)OC2(CCNCC2)C1=O | 10.1021/jm00068a005 | ||
| 44318584 | 164016 | 0 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 301 | 2 | 1 | 4 | 2.0 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)c1ccccc1 | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL421531 | 164016 | 0 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 301 | 2 | 1 | 4 | 2.0 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)c1ccccc1 | 10.1016/0960-894X(96)00471-4 | ||
| 71454468 | 78292 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 4.9 | CC(C)OC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL2112510 | 78292 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 4.9 | CC(C)OC(=O)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C | 10.1016/j.bmcl.2004.03.075 | ||
| 44593618 | 186876 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493979 | 186876 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10109893 | 81753 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL216983 | 81753 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL544840 | 81753 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0301235 | ||
| 324 | 1894 | 12 | None | -13 | 9 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00695-9 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00695-9 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00695-9 | ||
| 155562882 | 174661 | 0 | None | -3 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(OCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4571841 | 174661 | 0 | None | -3 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(OCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 44392906 | 12154 | 0 | None | -4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 1 | 0 | 3 | 4.0 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL1184677 | 12154 | 0 | None | -4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 1 | 0 | 3 | 4.0 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL363895 | 12154 | 0 | None | -4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 1 | 0 | 3 | 4.0 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 71575650 | 85770 | 0 | None | -3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312350 | 85770 | 0 | None | -3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 44448421 | 12231 | 0 | None | -10 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185269 | 12231 | 0 | None | -10 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL403773 | 12231 | 0 | None | -10 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 16094783 | 136044 | 0 | None | -19 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL373888 | 136044 | 0 | None | -19 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 2166 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 305 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 5910 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| CHEMBL550 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| DB01085 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm500860w | ||
| 164625211 | 188003 | 0 | None | -24 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4869865 | 188003 | 0 | None | -24 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028864 | 188003 | 0 | None | -24 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2736067 | 87102 | 67 | None | -93 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | ||
| CHEMBL2335158 | 87102 | 67 | None | -93 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | ||
| 300 | 2474 | 13 | None | -4 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | ||
| 4141 | 2474 | 13 | None | -4 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | ||
| CHEMBL92387 | 2474 | 13 | None | -4 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | ||
| 66561967 | 74355 | 0 | None | -12 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030626 | 74355 | 0 | None | -12 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| 44290888 | 13845 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 425 | 8 | 0 | 2 | 6.8 | CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(c1ccccc1)C2 | 10.1021/jm030430a | ||
| CHEMBL1196688 | 13845 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 425 | 8 | 0 | 2 | 6.8 | CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(c1ccccc1)C2 | 10.1021/jm030430a | ||
| CHEMBL557821 | 13845 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 425 | 8 | 0 | 2 | 6.8 | CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(c1ccccc1)C2 | 10.1021/jm030430a | ||
| 44312450 | 203128 | 0 | None | -13 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 446 | 5 | 0 | 4 | 5.2 | CC(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL75448 | 203128 | 0 | None | -13 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 446 | 5 | 0 | 4 | 5.2 | CC(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 15086397 | 13608 | 0 | None | 26 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 314 | 7 | 0 | 4 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc(C#N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1195036 | 13608 | 0 | None | 26 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 314 | 7 | 0 | 4 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc(C#N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL553755 | 13608 | 0 | None | 26 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 314 | 7 | 0 | 4 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc(C#N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 164617895 | 187940 | 0 | None | -43 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852868 | 187940 | 0 | None | -43 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028466 | 187940 | 0 | None | -43 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11526446 | 200119 | 0 | None | 2 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccsc1 | 10.1021/jm050099q | ||
| CHEMBL606904 | 200119 | 0 | None | 2 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccsc1 | 10.1021/jm050099q | ||
| 4841 | 67089 | 3 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1889399 | 67089 | 3 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1909073 | 67089 | 3 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| 11695960 | 72050 | 0 | None | 3 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 348 | 2 | 0 | 3 | 3.8 | O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL198669 | 72050 | 0 | None | 3 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 348 | 2 | 0 | 3 | 3.8 | O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| 11796509 | 40456 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.9 | COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL148450 | 40456 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.9 | COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | 10.1021/jm0003135 | ||
| 59291324 | 112281 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298593 | 112281 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305622 | 112281 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 59291578 | 112288 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 3 | 1 | 5 | 3.0 | O=C(Nc1ncoc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298594 | 112288 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 3 | 1 | 5 | 3.0 | O=C(Nc1ncoc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305763 | 112288 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 3 | 1 | 5 | 3.0 | O=C(Nc1ncoc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 71458940 | 81961 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 766 | 13 | 2 | 8 | 5.8 | O=C(CCC1=[N+]2C(C=C1)Cc1ccc(-c3cccs3)n1[B-]2(F)F)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm3006146 | ||
| CHEMBL2172285 | 81961 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 766 | 13 | 2 | 8 | 5.8 | O=C(CCC1=[N+]2C(C=C1)Cc1ccc(-c3cccs3)n1[B-]2(F)F)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm3006146 | ||
| 73351430 | 88868 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 764 | 13 | 2 | 8 | 6.2 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| CHEMBL2368393 | 88868 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 764 | 13 | 2 | 8 | 6.2 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| 73349926 | 88867 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 972 | 27 | 2 | 14 | 4.8 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCOCCOCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| CHEMBL2368392 | 88867 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 972 | 27 | 2 | 14 | 4.8 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCOCCOCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm040800a | ||
| 156019703 | 177372 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 986 | 28 | 2 | 14 | 5.1 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCOCCOCCOCCOCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4645678 | 177372 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 986 | 28 | 2 | 14 | 5.1 | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCOCCOCCOCCOCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 145961161 | 161058 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4129580 | 161058 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 44415886 | 79425 | 0 | None | -331 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 607 | 8 | 2 | 4 | 4.3 | CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL212141 | 79425 | 0 | None | -331 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 607 | 8 | 2 | 4 | 4.3 | CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 9975976 | 105667 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 363 | 6 | 1 | 4 | 3.9 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCCC1CCCCC1 | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL313565 | 105667 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 363 | 6 | 1 | 4 | 3.9 | CC1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCCC1CCCCC1 | 10.1016/0960-894X(96)00471-4 | ||
| 9991939 | 118847 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 241 | 1 | 0 | 2 | 4.0 | C1=C(c2cc3ccccc3s2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL344327 | 118847 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 241 | 1 | 0 | 2 | 4.0 | C1=C(c2cc3ccccc3s2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 10354430 | 36940 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 243 | 1 | 1 | 3 | 2.3 | OC1(c2cc3ccccc3o2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL145301 | 36940 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 243 | 1 | 1 | 3 | 2.3 | OC1(c2cc3ccccc3o2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 71575120 | 85785 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 7 | 0 | 5 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312374 | 85785 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 7 | 0 | 5 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 | 10.1021/jm301774u | ||
| 15196235 | 118688 | 2 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 181 | 1 | 0 | 2 | 1.5 | C1COC(C2CN3CCC2CC3)C1 | 10.1021/jm00003a011 | ||
| CHEMBL343182 | 118688 | 2 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 181 | 1 | 0 | 2 | 1.5 | C1COC(C2CN3CCC2CC3)C1 | 10.1021/jm00003a011 | ||
| 44392967 | 65276 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 5.0 | CCN1C(CCC2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL183331 | 65276 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 5.0 | CCN1C(CCC2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C | 10.1016/j.bmcl.2004.05.047 | ||
| 164614830 | 187916 | 0 | None | -83 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4858774 | 187916 | 0 | None | -83 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028275 | 187916 | 0 | None | -83 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44437270 | 12222 | 0 | None | -20 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185211 | 12222 | 0 | None | -20 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL398043 | 12222 | 0 | None | -20 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0102405 | ||
| 10405613 | 200831 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1016/0960-894X(96)00107-2 | ||
| CHEMBL611476 | 200831 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1016/0960-894X(96)00107-2 | ||
| 10061123 | 36659 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 259 | 1 | 1 | 3 | 2.8 | OC1(c2csc3ccccc23)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL145081 | 36659 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 259 | 1 | 1 | 3 | 2.8 | OC1(c2csc3ccccc23)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 9889312 | 78021 | 0 | None | -21 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | -21 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 1224 | 1404 | 79 | None | -3 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1404 | 79 | None | -3 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1404 | 79 | None | -3 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1404 | 79 | None | -3 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1404 | 79 | None | -3 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1404 | 79 | None | -3 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 154734599 | 2467 | 8 | None | -8 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 327 | 2467 | 8 | None | -8 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 4108 | 2467 | 8 | None | -8 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| CHEMBL27673 | 2467 | 8 | None | -8 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 164627658 | 188024 | 0 | None | -20 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4875268 | 188024 | 0 | None | -20 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029013 | 188024 | 0 | None | -20 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156013387 | 177686 | 0 | None | 1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4638935 | 177686 | 0 | None | 1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650725 | 177686 | 0 | None | 1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44450624 | 95490 | 0 | None | -12 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL259344 | 95490 | 0 | None | -12 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 24865895 | 95559 | 0 | None | -4 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL259662 | 95559 | 0 | None | -4 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL390842 | 95559 | 0 | None | -4 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 44448380 | 11810 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182644 | 11810 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257804 | 11810 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 156014813 | 177709 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4649668 | 177709 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650897 | 177709 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 71575654 | 85773 | 0 | None | -3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1ccccc1C1=C(C(=O)OCCc2ccc3c(c2)CCO3)CN(C)CC1 | 10.1021/jm301774u | ||
| CHEMBL2312354 | 85773 | 0 | None | -3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1ccccc1C1=C(C(=O)OCCc2ccc3c(c2)CCO3)CN(C)CC1 | 10.1021/jm301774u | ||
| 10081762 | 22258 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 207 | 2 | 0 | 5 | 1.0 | CC(C)n1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL132502 | 22258 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 207 | 2 | 0 | 5 | 1.0 | CC(C)n1nnc(C2=CCCN(C)C2)n1 | 10.1021/jm00050a006 | ||
| 9990094 | 22693 | 1 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 190 | 2 | 1 | 4 | 0.4 | C#CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL132894 | 22693 | 1 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 190 | 2 | 1 | 4 | 0.4 | C#CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 15105211 | 172307 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 11 | 0 | 3 | 3.8 | CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL451542 | 172307 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 11 | 0 | 3 | 3.8 | CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| 71450879 | 78298 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 449 | 6 | 1 | 4 | 5.2 | O=C(Oc1ccccc1)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2 | 10.1016/j.bmcl.2004.03.075 | ||
| CHEMBL2112516 | 78298 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 449 | 6 | 1 | 4 | 5.2 | O=C(Oc1ccccc1)[C@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2 | 10.1016/j.bmcl.2004.03.075 | ||
| 44312464 | 202950 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 468 | 5 | 0 | 4 | 5.8 | CC(c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL73661 | 202950 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 468 | 5 | 0 | 4 | 5.8 | CC(c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 155551903 | 175883 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4569929 | 175883 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596435 | 175883 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 422063 | 194403 | 2 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377384 | 194403 | 2 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL560649 | 194403 | 2 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 130442480 | 174698 | 0 | None | -104 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4572614 | 174698 | 0 | None | -104 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| 44577944 | 178036 | 0 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 3.0 | CN1CCC=C(C2CN(C(=S)Nc3cccc(Cl)c3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL467375 | 178036 | 0 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 3.0 | CN1CCC=C(C2CN(C(=S)Nc3cccc(Cl)c3)CCO2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 1273 | 1724 | 14 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm201348t | ||
| 3450 | 1724 | 14 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm201348t | ||
| 356 | 1724 | 14 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm201348t | ||
| 6172 | 1724 | 14 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm201348t | ||
| 67425 | 1724 | 14 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm201348t | ||
| CHEMBL360055 | 1724 | 14 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm201348t | ||
| DB00483 | 1724 | 14 | None | 1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm201348t | ||
| 44383613 | 130864 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 348 | 4 | 1 | 4 | 3.1 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN[C@H](C)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL368990 | 130864 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 348 | 4 | 1 | 4 | 3.1 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN[C@H](C)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 44431386 | 148493 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 332 | 5 | 1 | 5 | 2.1 | CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL394255 | 148493 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 332 | 5 | 1 | 5 | 2.1 | CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.ejmech.2009.07.026 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.ejmech.2009.07.026 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.ejmech.2009.07.026 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.ejmech.2009.07.026 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2008.03.019 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2008.03.019 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2008.03.019 | ||
| 44337638 | 110077 | 0 | None | 1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| CHEMBL325322 | 110077 | 0 | None | 1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| 12068491 | 13051 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 451 | 6 | 0 | 2 | 7.3 | Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(Cl)cc2)cc1 | 10.1021/jm000417f | ||
| CHEMBL1190810 | 13051 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 451 | 6 | 0 | 2 | 7.3 | Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(Cl)cc2)cc1 | 10.1021/jm000417f | ||
| CHEMBL541612 | 13051 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 451 | 6 | 0 | 2 | 7.3 | Clc1ccc(C(OC2CC3CCC(C2)N3Cc2ccccc2)c2ccc(Cl)cc2)cc1 | 10.1021/jm000417f | ||
| 164621443 | 187969 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4867483 | 187969 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028653 | 187969 | 0 | None | -5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155552923 | 175733 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4544820 | 175733 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595245 | 175733 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 9964754 | 58789 | 3 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 1 | 1 | 3 | 2.5 | Cc1cnc(N2CCc3ccccc3C2)cc1N | 10.1016/s0960-894x(03)00007-6 | ||
| CHEMBL169695 | 58789 | 3 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 1 | 1 | 3 | 2.5 | Cc1cnc(N2CCc3ccccc3C2)cc1N | 10.1016/s0960-894x(03)00007-6 | ||
| 11024241 | 119795 | 0 | None | 1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 338 | 6 | 0 | 3 | 4.9 | CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| CHEMBL352723 | 119795 | 0 | None | 1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 338 | 6 | 0 | 3 | 4.9 | CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 11012653 | 120307 | 0 | None | -6 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 320 | 6 | 0 | 2 | 4.9 | CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355769 | 120307 | 0 | None | -6 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 320 | 6 | 0 | 2 | 4.9 | CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 10160219 | 4861 | 0 | None | -870 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104693 | 4861 | 0 | None | -870 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 10225881 | 107135 | 0 | None | -288 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL318995 | 107135 | 0 | None | -288 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11653679 | 180609 | 1 | None | -131 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2008.06.030 | ||
| CHEMBL476108 | 180609 | 1 | None | -131 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmc.2008.06.030 | ||
| 44364174 | 121471 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 400 | 7 | 3 | 4 | 3.0 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL359220 | 121471 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 400 | 7 | 3 | 4 | 3.0 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1 | 10.1021/jm0003135 | ||
| 190868 | 13031 | 2 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 4.8 | O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL1190617 | 13031 | 2 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 4.8 | O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL541284 | 13031 | 2 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 4.8 | O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00039a008 | ||
| 71575549 | 85780 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 335 | 5 | 0 | 3 | 3.9 | Cc1cccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)c1 | 10.1021/jm301774u | ||
| CHEMBL2312369 | 85780 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 335 | 5 | 0 | 3 | 3.9 | Cc1cccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)c1 | 10.1021/jm301774u | ||
| 44318715 | 203941 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 337 | 7 | 0 | 4 | 3.4 | CCCCCCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL81954 | 203941 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 337 | 7 | 0 | 4 | 3.4 | CCCCCCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 75201901 | 165872 | 14 | None | -645 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4277264 | 165872 | 14 | None | -645 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2009.06.032 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2009.06.032 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2009.06.032 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2009.06.032 | ||
| 5318 | 15400 | 44 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15400 | 44 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15400 | 44 | None | -1 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 45268662 | 194276 | 0 | None | -37 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 442 | 7 | 0 | 4 | 5.4 | CN(CCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| CHEMBL559557 | 194276 | 0 | None | -37 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 442 | 7 | 0 | 4 | 5.4 | CN(CCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| 14956867 | 203120 | 0 | None | 4 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 0.6 | CCN1C(=O)C2(CCN(C)CC2)OC1=S | 10.1021/jm00068a005 | ||
| CHEMBL75380 | 203120 | 0 | None | 4 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 0.6 | CCN1C(=O)C2(CCN(C)CC2)OC1=S | 10.1021/jm00068a005 | ||
| 15050933 | 202190 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 460 | 8 | 0 | 6 | 3.4 | CN1CCN(CC(=O)N2c3ccccc3C(=O)N(CCCCCCC#N)c3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL68880 | 202190 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 460 | 8 | 0 | 6 | 3.4 | CN1CCN(CC(=O)N2c3ccccc3C(=O)N(CCCCCCC#N)c3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 9998508 | 79700 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21321 | 79700 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 10957754 | 58735 | 0 | None | -3 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL169401 | 58735 | 0 | None | -3 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 289 | 240 | 6 | None | -91 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 9948320 | 240 | 6 | None | -91 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| CHEMBL1242950 | 240 | 6 | None | -91 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm201348t | ||
| 3929516 | 106886 | 2 | None | 1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| CHEMBL317757 | 106886 | 2 | None | 1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm970525a | ||
| 10834711 | 120896 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 398 | 6 | 2 | 4 | 3.9 | O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL358193 | 120896 | 0 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 398 | 6 | 2 | 4 | 3.9 | O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 10607458 | 13082 | 1 | None | - | 1 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 180 | 2 | 1 | 4 | -0.2 | CC#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL1191028 | 13082 | 1 | None | - | 1 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 180 | 2 | 1 | 4 | -0.2 | CC#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| CHEMBL542064 | 13082 | 1 | None | - | 1 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 180 | 2 | 1 | 4 | -0.2 | CC#CCOC(=O)C1CN=CNC1 | 10.1021/jm960467d | ||
| 44311762 | 162920 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL420008 | 162920 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44311762 | 162920 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL420008 | 162920 | 0 | None | -7 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 164621305 | 187967 | 0 | None | -35 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4863285 | 187967 | 0 | None | -35 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028642 | 187967 | 0 | None | -35 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44627860 | 13921 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197371 | 13921 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL568870 | 13921 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 76331540 | 103003 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 340 | 4 | 1 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| CHEMBL3085025 | 103003 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 340 | 4 | 1 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2005.08.111 | ||
| 156015390 | 177667 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648229 | 177667 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650585 | 177667 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 11552283 | 71346 | 0 | None | 2 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 3 | 0 | 4 | 3.8 | O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL196481 | 71346 | 0 | None | 2 | 3 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 362 | 3 | 0 | 4 | 3.8 | O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1 | 10.1021/jm050099q | ||
| 9859365 | 8412 | 2 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 225 | 1 | 0 | 2 | 3.5 | C1=C(c2cc3ccccc3o2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL109405 | 8412 | 2 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 225 | 1 | 0 | 2 | 3.5 | C1=C(c2cc3ccccc3o2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 156014205 | 177717 | 0 | None | 3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4635385 | 177717 | 0 | None | 3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650957 | 177717 | 0 | None | 3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44311784 | 202774 | 0 | None | -28 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 9 | 0 | 6 | 5.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72408 | 202774 | 0 | None | -28 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 9 | 0 | 6 | 5.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44294469 | 178093 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 224 | 1 | 0 | 2 | 3.2 | CC1CN(c2ccncc2)Cc2ccccc21 | 10.1016/s0960-894x(03)00232-4 | ||
| CHEMBL46779 | 178093 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 224 | 1 | 0 | 2 | 3.2 | CC1CN(c2ccncc2)Cc2ccccc21 | 10.1016/s0960-894x(03)00232-4 | ||
| 10262946 | 19291 | 4 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 221 | 4 | 0 | 5 | 1.2 | CCCN1CCC=C(c2nnn(CC)n2)C1 | 10.1021/jm00050a006 | ||
| CHEMBL129923 | 19291 | 4 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 221 | 4 | 0 | 5 | 1.2 | CCCN1CCC=C(c2nnn(CC)n2)C1 | 10.1021/jm00050a006 | ||
| 10241389 | 21415 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 179 | 1 | 1 | 5 | -0.0 | CC1CC=C(c2nnn(C)n2)CN1 | 10.1021/jm00050a006 | ||
| CHEMBL131753 | 21415 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 179 | 1 | 1 | 5 | -0.0 | CC1CC=C(c2nnn(C)n2)CN1 | 10.1021/jm00050a006 | ||
| 44318855 | 163238 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 337 | 8 | 1 | 4 | 3.5 | CCCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL420596 | 163238 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 337 | 8 | 1 | 4 | 3.5 | CCCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 130442572 | 171342 | 0 | None | -190 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4469848 | 171342 | 0 | None | -190 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 44318723 | 204438 | 0 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 281 | 3 | 1 | 4 | 1.8 | CC(C)CC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL86224 | 204438 | 0 | None | - | 1 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 281 | 3 | 1 | 4 | 1.8 | CC(C)CC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 10262466 | 97892 | 0 | None | -13 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL275104 | 97892 | 0 | None | -13 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 23983764 | 10235 | 0 | None | -25 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 217 | 3 | 0 | 5 | 1.3 | Cc1nccn1CC#CCOc1ccon1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL1162116 | 10235 | 0 | None | -25 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 217 | 3 | 0 | 5 | 1.3 | Cc1nccn1CC#CCOc1ccon1 | 10.1016/j.bmc.2007.12.036 | ||
| 12071086 | 13896 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 4.7 | Clc1cccc(C(OC2CC3CCC(C2)N3)c2ccccc2)c1 | 10.1021/jm000417f | ||
| CHEMBL1197075 | 13896 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 4.7 | Clc1cccc(C(OC2CC3CCC(C2)N3)c2ccccc2)c1 | 10.1021/jm000417f | ||
| CHEMBL559215 | 13896 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 4.7 | Clc1cccc(C(OC2CC3CCC(C2)N3)c2ccccc2)c1 | 10.1021/jm000417f | ||
| 9948957 | 202787 | 1 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 319 | 11 | 0 | 3 | 3.9 | CCN(CC)CCOCCOCC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL72506 | 202787 | 1 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 319 | 11 | 0 | 3 | 3.9 | CCN(CC)CCOCCOCC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| 6918107 | 77787 | 13 | None | 1 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 319 | 2 | 0 | 4 | 3.5 | Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O | 10.1021/jm00075a026 | ||
| CHEMBL2103778 | 77787 | 13 | None | 1 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 319 | 2 | 0 | 4 | 3.5 | Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O | 10.1021/jm00075a026 | ||
| 2719 | 904 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 5535 | 904 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 607 | 904 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| CHEMBL76 | 904 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| DB00608 | 904 | 66 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 71454526 | 79049 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 273 | 3 | 0 | 3 | 3.2 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](C1)N([C@H](C)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL2113669 | 79049 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 273 | 3 | 0 | 3 | 3.2 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](C1)N([C@H](C)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 44309151 | 201889 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 380 | 6 | 2 | 3 | 3.3 | NCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL66820 | 201889 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 380 | 6 | 2 | 3 | 3.3 | NCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 71575452 | 85777 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312366 | 85777 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 44337748 | 9305 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| CHEMBL111529 | 9305 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.0 | CC(=O)O[C@H]1CC2CC(C1)N(C)C2 | 10.1021/jm00115a003 | ||
| 10104527 | 118696 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 209 | 1 | 1 | 3 | 1.7 | OC1(c2ccsc2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL343242 | 118696 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 209 | 1 | 1 | 3 | 1.7 | OC1(c2ccsc2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 44342079 | 9379 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 463 | 9 | 0 | 3 | 6.5 | Fc1ccc(C(OC2CC3CCC(C2)N3CCCOc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| CHEMBL111928 | 9379 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 463 | 9 | 0 | 3 | 6.5 | Fc1ccc(C(OC2CC3CCC(C2)N3CCCOc2ccccc2)c2ccc(F)cc2)cc1 | 10.1021/jm030646c | ||
| 16086066 | 138705 | 0 | None | -239 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| CHEMBL378872 | 138705 | 0 | None | -239 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| 155557119 | 175937 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4555411 | 175937 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596899 | 175937 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44593626 | 187270 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496306 | 187270 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539121 | 187270 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44593621 | 192694 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524061 | 192694 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 57400503 | 69371 | 0 | None | -186 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 323 | 3 | 1 | 4 | 3.8 | Cc1ccc(Cn2c(C3CNCCS3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| CHEMBL1935444 | 69371 | 0 | None | -186 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 323 | 3 | 1 | 4 | 3.8 | Cc1ccc(Cn2c(C3CNCCS3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2011.10.115 | ||
| 15749863 | 154074 | 5 | None | 3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 197 | 0 | 0 | 3 | 1.2 | CC1(C)OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL39922 | 154074 | 5 | None | 3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 197 | 0 | 0 | 3 | 1.2 | CC1(C)OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 56963799 | 74546 | 0 | None | -2344 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL2031737 | 74546 | 0 | None | -2344 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
| 162353382 | 181152 | 0 | None | -10 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4777127 | 181152 | 0 | None | -10 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | ||
| 11523051 | 95842 | 0 | None | -6 | 5 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2093084 | 95842 | 0 | None | -6 | 5 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL261194 | 95842 | 0 | None | -6 | 5 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| 45266386 | 193247 | 0 | None | -4 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL541424 | 193247 | 0 | None | -4 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| 162353394 | 180188 | 0 | None | -2 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 1.5 | O=C(CN1CCCc2cnccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756237 | 180188 | 0 | None | -2 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 1.5 | O=C(CN1CCCc2cnccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44351284 | 20189 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 333 | 5 | 0 | 2 | 5.0 | CN1C2CCC1CC(=CCOC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| CHEMBL130643 | 20189 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 333 | 5 | 0 | 2 | 5.0 | CN1C2CCC1CC(=CCOC(c1ccccc1)c1ccccc1)C2 | 10.1021/jm0101592 | ||
| 155565770 | 175051 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4580590 | 175051 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 12071091 | 12930 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 4.7 | Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1 | 10.1021/jm000417f | ||
| CHEMBL1189962 | 12930 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 4.7 | Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1 | 10.1021/jm000417f | ||
| CHEMBL539821 | 12930 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 4.7 | Clc1ccc(C(OC2CC3CCC(C2)N3)c2ccccc2)cc1 | 10.1021/jm000417f | ||
| 155528270 | 175817 | 0 | None | -7 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4461081 | 175817 | 0 | None | -7 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595943 | 175817 | 0 | None | -7 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44311835 | 202832 | 0 | None | -31 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 558 | 8 | 0 | 5 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72787 | 202832 | 0 | None | -31 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 558 | 8 | 0 | 5 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44318525 | 204298 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 323 | 7 | 1 | 4 | 3.1 | CCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| CHEMBL84985 | 204298 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 323 | 7 | 1 | 4 | 3.1 | CCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)OC1C | 10.1016/0960-894X(96)00471-4 | ||
| 542182 | 101691 | 1 | None | -1 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 465 | 8 | 3 | 7 | 0.8 | NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL302604 | 101691 | 1 | None | -1 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 465 | 8 | 3 | 7 | 0.8 | NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 44274469 | 80196 | 0 | None | 1 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21509 | 80196 | 0 | None | 1 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 46227481 | 14024 | 0 | None | -2 | 5 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198081 | 14024 | 0 | None | -2 | 5 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL595022 | 14024 | 0 | None | -2 | 5 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 4189 | 205195 | 91 | None | -14 | 34 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 205195 | 91 | None | -14 | 34 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 205195 | 91 | None | -14 | 34 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 44312460 | 202915 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 344 | 4 | 0 | 4 | 2.8 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL73410 | 202915 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 344 | 4 | 0 | 4 | 2.8 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 9820835 | 116275 | 3 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 2 | 1 | 5 | 0.1 | CCn1nnc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL337676 | 116275 | 3 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 2 | 1 | 5 | 0.1 | CCn1nnc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 9989825 | 168654 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 1 | 1 | 5 | -0.0 | CC1=C(c2nnn(C)n2)CNCC1 | 10.1021/jm00050a006 | ||
| CHEMBL440903 | 168654 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 1 | 1 | 5 | -0.0 | CC1=C(c2nnn(C)n2)CNCC1 | 10.1021/jm00050a006 | ||
| 44291118 | 77552 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 7.4 | CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL2094050 | 77552 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 7.4 | CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL2094105 | 77552 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 465 | 6 | 0 | 2 | 7.4 | CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| 44576435 | 186978 | 0 | None | - | 1 | Rat | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 367 | 4 | 0 | 6 | 1.2 | CN1CCC=C(C2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| CHEMBL494569 | 186978 | 0 | None | - | 1 | Rat | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 367 | 4 | 0 | 6 | 1.2 | CN1CCC=C(C2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 | 10.1016/j.bmc.2008.03.019 | ||
| 15050952 | 201802 | 0 | None | -1 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 507 | 9 | 3 | 7 | 1.0 | CC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL66177 | 201802 | 0 | None | -1 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 507 | 9 | 3 | 7 | 1.0 | CC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 57339144 | 91806 | 71 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | nan | ||
| CHEMBL2426364 | 91806 | 71 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | nan | ||
| 155521383 | 175852 | 0 | None | -8 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4450522 | 175852 | 0 | None | -8 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596184 | 175852 | 0 | None | -8 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44318766 | 204037 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| CHEMBL82754 | 204037 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| 44291101 | 77553 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 447 | 6 | 0 | 2 | 6.6 | Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL2094051 | 77553 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 447 | 6 | 0 | 2 | 6.6 | Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| CHEMBL2094106 | 77553 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 447 | 6 | 0 | 2 | 6.6 | Cc1ccc(C2CC3CCC([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)N3C)cc1 | 10.1021/jm030430a | ||
| 44612794 | 196293 | 0 | None | - | 1 | Rat | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.6 | CC(C)N1C(=O)CSC1C1=CCCN(C)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| CHEMBL573516 | 196293 | 0 | None | - | 1 | Rat | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.6 | CC(C)N1C(=O)CSC1C1=CCCN(C)C1 | 10.1016/j.ejmech.2009.07.026 | ||
| 425249 | 89367 | 8 | None | -165 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 355 | 8 | 1 | 4 | 3.6 | CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377261 | 89367 | 8 | None | -165 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 355 | 8 | 1 | 4 | 3.6 | CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C | 10.1016/j.bmc.2013.01.072 | ||
| 44577879 | 178030 | 0 | None | - | 1 | Rat | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 347 | 3 | 1 | 4 | 2.4 | COc1ccccc1NC(=S)N1CCOC(C2=CCCN(C)C2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| CHEMBL467346 | 178030 | 0 | None | - | 1 | Rat | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 347 | 3 | 1 | 4 | 2.4 | COc1ccccc1NC(=S)N1CCOC(C2=CCCN(C)C2)C1 | 10.1016/j.bmc.2008.06.053 | ||
| 15595033 | 193405 | 13 | None | -416 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 338 | 4 | 1 | 4 | 3.4 | CNC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| CHEMBL549599 | 193405 | 13 | None | -416 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 338 | 4 | 1 | 4 | 3.4 | CNC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.05.086 | ||
| 2335 | 11743 | 21 | None | -1 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 11743 | 21 | None | -1 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 11743 | 21 | None | -1 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 11743 | 21 | None | -1 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 11551351 | 7863 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C[C@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| CHEMBL1090433 | 7863 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C[C@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12 | 10.1016/j.bmcl.2010.01.134 | ||
| 23352285 | 96331 | 2 | None | 2 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 219 | 2 | 0 | 3 | 2.6 | O=Cc1ccc(C2=CN3CCC2CC3)s1 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL264747 | 96331 | 2 | None | 2 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 219 | 2 | 0 | 3 | 2.6 | O=Cc1ccc(C2=CN3CCC2CC3)s1 | 10.1016/S0960-894X(01)80824-6 | ||
| 44291098 | 77551 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 467 | 6 | 0 | 2 | 7.0 | CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL2094049 | 77551 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 467 | 6 | 0 | 2 | 7.0 | CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| CHEMBL2094104 | 77551 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 467 | 6 | 0 | 2 | 7.0 | CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(Cl)cc1)C2 | 10.1021/jm030430a | ||
| 5983 | 205684 | 48 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | Drug Central | 275 | 1 | 1 | 4 | 1.8 | CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C | None | ||
| CHEMBL94 | 205684 | 48 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | Drug Central | 275 | 1 | 1 | 4 | 1.8 | CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C | None | ||
| 4199 | 98389 | 36 | None | - | 1 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | None | ||
| CHEMBL278819 | 98389 | 36 | None | - | 1 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | None | ||
| 2267 | 553 | 64 | None | - | 7 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 271 | 553 | 64 | None | - | 7 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 7121 | 553 | 64 | None | - | 7 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| CHEMBL639 | 553 | 64 | None | - | 7 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| DB00972 | 553 | 64 | None | - | 7 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 381 | 3 | 0 | 4 | 4.3 | CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2 | None | ||
| 1613 | 2316 | 44 | None | -24 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2316 | 44 | None | -24 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2316 | 44 | None | -24 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2316 | 44 | None | -24 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2316 | 44 | None | -24 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 2600 | 3720 | 73 | None | - | 13 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 2608 | 3720 | 73 | None | - | 13 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 5405 | 3720 | 73 | None | - | 13 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| CHEMBL17157 | 3720 | 73 | None | - | 13 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| DB00342 | 3720 | 73 | None | - | 13 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 1935 | 3677 | 92 | None | - | 6 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 2551 | 3677 | 92 | None | - | 6 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 6687 | 3677 | 92 | None | - | 6 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| CHEMBL95 | 3677 | 92 | None | - | 6 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| DB00382 | 3677 | 92 | None | - | 6 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 3191 | 102385 | 93 | None | -19 | 25 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| CHEMBL305660 | 102385 | 93 | None | -19 | 25 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| 10096344 | 89164 | 80 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | None | ||
| CHEMBL237500 | 89164 | 80 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 472 | 4 | 1 | 10 | 1.1 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C | None | ||
| 306 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 3536 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 53930639 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 9577995 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| CHEMBL134641 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 1979 | 76973 | 66 | None | - | 4 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 76973 | 66 | None | - | 4 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 154059 | 3580 | 49 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 2457 | 3580 | 49 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 7483 | 3580 | 49 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| CHEMBL1734 | 3580 | 49 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| DB01591 | 3580 | 49 | None | -3 | 8 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 2745 | 3800 | 39 | None | -3 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | None | -3 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | None | -3 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | None | -3 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | None | -3 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | None | -3 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 15376 | 3931 | 0 | None | -2 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| 349 | 3931 | 0 | None | -2 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| 3643 | 3931 | 0 | None | -2 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| CHEMBL1165342 | 3931 | 0 | None | -2 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| DB13374 | 3931 | 0 | None | -2 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| 2360 | 3637 | 41 | None | -3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| 2484 | 3637 | 41 | None | -3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| 347 | 3637 | 41 | None | -3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| 441071 | 3637 | 41 | None | -3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| CHEMBL227934 | 3637 | 41 | None | -3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| DB15954 | 3637 | 41 | None | -3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| 21158560 | 112296 | 4 | None | 1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | ||
| CHEMBL3305985 | 112296 | 4 | None | 1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | ||
| 2824 | 3930 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| 345 | 3930 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| 71203 | 3930 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| CHEMBL1892145 | 3930 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| DB13793 | 3930 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| 92112 | 21505 | 14 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@H]32 | None | ||
| CHEMBL1318553 | 21505 | 14 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@H]32 | None | ||
| 656598 | 216020 | 0 | None | -1 | 4 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)[C@@H](CO)C1=CC=CC=C1 | None | ||
| 2381 | 656 | 43 | None | -2 | 9 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 656 | 43 | None | -2 | 9 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 656 | 43 | None | -2 | 9 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 656 | 43 | None | -2 | 9 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 656 | 43 | None | -2 | 9 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 8598 | 1246 | 0 | None | 1 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 1053 | 16 | 2 | 11 | 9.9 | O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2 | 20133736 | ||
| 91827377 | 1246 | 0 | None | 1 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 1053 | 16 | 2 | 11 | 9.9 | O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2 | 20133736 | ||
| 23056 | 112 | 26 | None | 1 | 7 | Human | 10.7 | pKd | = | 10.7 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 3443095 | ||
| 23056 | 112 | 26 | None | 1 | 7 | Human | 10.7 | pKd | = | 10.7 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 318 | 112 | 26 | None | 1 | 7 | Human | 10.7 | pKd | = | 10.7 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 3443095 | ||
| 318 | 112 | 26 | None | 1 | 7 | Human | 10.7 | pKd | = | 10.7 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 3260 | 112 | 26 | None | 1 | 7 | Human | 10.7 | pKd | = | 10.7 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 3443095 | ||
| 3260 | 112 | 26 | None | 1 | 7 | Human | 10.7 | pKd | = | 10.7 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| CHEMBL12980 | 112 | 26 | None | 1 | 7 | Human | 10.7 | pKd | = | 10.7 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 3443095 | ||
| CHEMBL12980 | 112 | 26 | None | 1 | 7 | Human | 10.7 | pKd | = | 10.7 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 21123938 | 724 | 0 | None | -2 | 5 | Human | 3.2 | pKd | = | 3.2 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | ||
| 343 | 724 | 0 | None | -2 | 5 | Human | 3.2 | pKd | = | 3.2 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | ||
| 342 | 723 | 50 | None | -4 | 5 | Human | 4.5 | pKd | = | 4.5 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 442021 | 723 | 50 | None | -4 | 5 | Human | 4.5 | pKd | = | 4.5 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| CHEMBL501756 | 723 | 50 | None | -4 | 5 | Human | 4.5 | pKd | = | 4.5 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 342 | 723 | 50 | None | -4 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 10101037 | ||
| 342 | 723 | 50 | None | -4 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9224827 | ||
| 342 | 723 | 50 | None | -4 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 442021 | 723 | 50 | None | -4 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 10101037 | ||
| 442021 | 723 | 50 | None | -4 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9224827 | ||
| 442021 | 723 | 50 | None | -4 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| CHEMBL501756 | 723 | 50 | None | -4 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 10101037 | ||
| CHEMBL501756 | 723 | 50 | None | -4 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9224827 | ||
| CHEMBL501756 | 723 | 50 | None | -4 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 107867 | 2927 | 48 | None | -5 | 10 | Human | 6.2 | pKd | = | 6.2 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 8759038 | ||
| 309 | 2927 | 48 | None | -5 | 10 | Human | 6.2 | pKd | = | 6.2 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 8759038 | ||
| CHEMBL17045 | 2927 | 48 | None | -5 | 10 | Human | 6.2 | pKd | = | 6.2 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 8759038 | ||
| 16219545 | 2170 | 0 | None | 1 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 537 | 6 | 2 | 7 | 5.6 | CCCCCCOC(=O)[C@@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 337 | 2170 | 0 | None | 1 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | Guide to Pharmacology | 537 | 6 | 2 | 7 | 5.6 | CCCCCCOC(=O)[C@@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 319 | 1297 | 39 | None | -2 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9029489 | ||
| 321 | 1297 | 39 | None | -2 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9029489 | ||
| 444031 | 1297 | 39 | None | -2 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9029489 | ||
| 784 | 1297 | 39 | None | -2 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9029489 | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9029489 | ||
| DB00496 | 1297 | 39 | None | -2 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9029489 | ||
| 8600 | 339 | 0 | None | 3 | 2 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 1025 | 18 | 4 | 16 | 4.7 | O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2 | 20133736 | ||
| 91827379 | 339 | 0 | None | 3 | 2 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 1025 | 18 | 4 | 16 | 4.7 | O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2 | 20133736 | ||
| 2381 | 656 | 43 | None | -2 | 9 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 374 | 656 | 43 | None | -2 | 9 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 7128 | 656 | 43 | None | -2 | 9 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| CHEMBL1101 | 656 | 43 | None | -2 | 9 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| DB00810 | 656 | 43 | None | -2 | 9 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11578621 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7925952 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9224827 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9614217 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11578621 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7925952 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9224827 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9614217 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11578621 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7925952 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9224827 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9614217 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11578621 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7925952 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9224827 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9614217 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11578621 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7925952 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9224827 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9614217 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11578621 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7925952 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9224827 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9614217 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| 21123938 | 724 | 0 | None | -2 | 5 | Human | 3.2 | pKd | None | 3.2 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | ||
| 343 | 724 | 0 | None | -2 | 5 | Human | 3.2 | pKd | None | 3.2 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | ||
| 344 | 2708 | 0 | None | -3 | 5 | Human | 4.1 | pKd | None | 4.1 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | ||
| 44358908 | 2708 | 0 | None | -3 | 5 | Human | 4.1 | pKd | None | 4.1 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | ||
| CHEMBL139677 | 2708 | 0 | None | -3 | 5 | Human | 4.1 | pKd | None | 4.1 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | ||
| 348 | 3743 | 0 | None | -1 | 4 | Human | 4.1 | pKd | None | 4.1 | Binding | Guide to Pharmacology | 262 | 2 | 1 | 6 | 1.9 | OCCc1sc2=Nc3c(Cn2c1C)cnc(n3)C | 14722259 | ||
| 66706 | 3743 | 0 | None | -1 | 4 | Human | 4.1 | pKd | None | 4.1 | Binding | Guide to Pharmacology | 262 | 2 | 1 | 6 | 1.9 | OCCc1sc2=Nc3c(Cn2c1C)cnc(n3)C | 14722259 | ||
| 332 | 2003 | 0 | None | -2 | 5 | Human | 4.4 | pKd | None | 4.4 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | ||
| 44358893 | 2003 | 0 | None | -2 | 5 | Human | 4.4 | pKd | None | 4.4 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | ||
| CHEMBL343796 | 2003 | 0 | None | -2 | 5 | Human | 4.4 | pKd | None | 4.4 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | ||
| 15376 | 3931 | 0 | None | -2 | 4 | Human | 4.8 | pKd | None | 4.8 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| 349 | 3931 | 0 | None | -2 | 4 | Human | 4.8 | pKd | None | 4.8 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| 3643 | 3931 | 0 | None | -2 | 4 | Human | 4.8 | pKd | None | 4.8 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| CHEMBL1165342 | 3931 | 0 | None | -2 | 4 | Human | 4.8 | pKd | None | 4.8 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| DB13374 | 3931 | 0 | None | -2 | 4 | Human | 4.8 | pKd | None | 4.8 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| 2360 | 3637 | 41 | None | -3 | 5 | Human | 4.9 | pKd | None | 4.9 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 2484 | 3637 | 41 | None | -3 | 5 | Human | 4.9 | pKd | None | 4.9 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 347 | 3637 | 41 | None | -3 | 5 | Human | 4.9 | pKd | None | 4.9 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 441071 | 3637 | 41 | None | -3 | 5 | Human | 4.9 | pKd | None | 4.9 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| CHEMBL227934 | 3637 | 41 | None | -3 | 5 | Human | 4.9 | pKd | None | 4.9 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| DB15954 | 3637 | 41 | None | -3 | 5 | Human | 4.9 | pKd | None | 4.9 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 2360 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 2360 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| 2484 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 2484 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| 347 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 347 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| 441071 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 441071 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| CHEMBL227934 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| CHEMBL227934 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| DB15954 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| DB15954 | 3637 | 41 | None | -3 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| 341 | 337 | 0 | None | -31 | 4 | Human | 5.0 | pKd | None | 5 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 9224827 | ||
| 5311001 | 337 | 0 | None | -31 | 4 | Human | 5.0 | pKd | None | 5 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 9224827 | ||
| 336 | 2140 | 0 | None | - | 1 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 467 | 1 | 2 | 7 | 3.7 | COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 490561 | 2140 | 0 | None | - | 1 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 467 | 1 | 2 | 7 | 3.7 | COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| CHEMBL416056 | 2140 | 0 | None | - | 1 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 467 | 1 | 2 | 7 | 3.7 | COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| DB02152 | 2140 | 0 | None | - | 1 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 467 | 1 | 2 | 7 | 3.7 | COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 2824 | 3930 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| 345 | 3930 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| 71203 | 3930 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| CHEMBL1892145 | 3930 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| DB13793 | 3930 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| 15118529 | 4020 | 0 | None | -2 | 4 | Human | 5.5 | pKd | None | 5.5 | Binding | Guide to Pharmacology | 437 | 0 | 1 | 4 | 5.4 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2 | 12435818 | ||
| 340 | 4020 | 0 | None | -2 | 4 | Human | 5.5 | pKd | None | 5.5 | Binding | Guide to Pharmacology | 437 | 0 | 1 | 4 | 5.4 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2 | 12435818 | ||
| CHEMBL1256845 | 4020 | 0 | None | -2 | 4 | Human | 5.5 | pKd | None | 5.5 | Binding | Guide to Pharmacology | 437 | 0 | 1 | 4 | 5.4 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2 | 12435818 | ||
| 108152 | 2171 | 0 | None | 1 | 2 | Human | 5.7 | pKd | None | 5.7 | Binding | Guide to Pharmacology | 495 | 2 | 0 | 7 | 4.7 | COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C | 10860942 | ||
| 338 | 2171 | 0 | None | 1 | 2 | Human | 5.7 | pKd | None | 5.7 | Binding | Guide to Pharmacology | 495 | 2 | 0 | 7 | 4.7 | COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C | 10860942 | ||
| 335 | 1806 | 0 | None | 1 | 4 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | 470 | 5 | 2 | 7 | 3.3 | COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1 | 10860942 | ||
| 3500 | 1806 | 0 | None | 1 | 4 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | 470 | 5 | 2 | 7 | 3.3 | COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1 | 10860942 | ||
| CHEMBL157822 | 1806 | 0 | None | 1 | 4 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | 470 | 5 | 2 | 7 | 3.3 | COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1 | 10860942 | ||
| 339 | 4018 | 0 | None | -2 | 4 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | 439 | 0 | 1 | 4 | 5.2 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1 | 12435818 | ||
| 9803245 | 4018 | 0 | None | -2 | 4 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | 439 | 0 | 1 | 4 | 5.2 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1 | 12435818 | ||
| CHEMBL2206331 | 4018 | 0 | None | -2 | 4 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | 439 | 0 | 1 | 4 | 5.2 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1 | 12435818 | ||
| 346 | 3633 | 0 | None | 3 | 3 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 44259 | 3633 | 0 | None | 3 | 3 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| CHEMBL388978 | 3633 | 0 | None | 3 | 3 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| DB02010 | 3633 | 0 | None | 3 | 3 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 316 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| 316 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| 317 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| 317 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| 71183 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| 71183 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| CHEMBL3140030 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| CHEMBL3140030 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| CHEMBL376897 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| CHEMBL376897 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| DB00462 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| DB00462 | 2793 | 14 | None | -1 | 9 | Rat | 9.7 | pKd | None | 9.7 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| 23056 | 112 | 26 | 3H-QNB | 1 | 7 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 318 | 112 | 26 | 3H-QNB | 1 | 7 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 3260 | 112 | 26 | 3H-QNB | 1 | 7 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| CHEMBL12980 | 112 | 26 | 3H-QNB | 1 | 7 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 23056 | 112 | 26 | 3H-QNB | 1 | 7 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 318 | 112 | 26 | 3H-QNB | 1 | 7 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 3260 | 112 | 26 | 3H-QNB | 1 | 7 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| CHEMBL12980 | 112 | 26 | 3H-QNB | 1 | 7 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 131632304 | 214266 | 0 | 3H-PIRENZEPINE | -1 | 13 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 12057539 | 206301 | 39 | 3H-QNB | -1 | 20 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-QNB | -1 | 20 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-QNB | -1 | 20 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-NMS | -1 | 20 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMS | -1 | 20 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMS | -1 | 20 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3246155 | 214183 | 0 | 3H-QNB | 1 | 16 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 307 | 4 | 0 | 2 | 4.4 | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| 12057539 | 206301 | 39 | 3H-NMS | -1 | 20 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMS | -1 | 20 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMS | -1 | 20 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3246155 | 214183 | 0 | 3H-PIRENZEPINE | -1 | 16 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 307 | 4 | 0 | 2 | 4.4 | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| 12057539 | 206301 | 39 | 3H-PIRENZEPINE | -1 | 20 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-PIRENZEPINE | -1 | 20 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-PIRENZEPINE | -1 | 20 | Rat | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-QNB | -1 | 20 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-QNB | -1 | 20 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-QNB | -1 | 20 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-PIRENZEPINE | -1 | 20 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-PIRENZEPINE | -1 | 20 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-PIRENZEPINE | -1 | 20 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 2745 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 1734 | 116 | 8 | 3H-PIRENZEPINE | -1 | 12 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-PIRENZEPINE | -1 | 12 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-PIRENZEPINE | -1 | 12 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 2381 | 656 | 43 | 3H-QNB | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 656 | 43 | 3H-QNB | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 656 | 43 | 3H-QNB | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 656 | 43 | 3H-QNB | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 656 | 43 | 3H-QNB | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 325 | 2031 | 0 | 3H-NMS | -1 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 3746 | 2031 | 0 | 3H-NMS | -1 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 657308 | 2031 | 0 | 3H-NMS | -1 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| CHEMBL1615433 | 2031 | 0 | 3H-NMS | -1 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| DB00332 | 2031 | 0 | 3H-NMS | -1 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 12057539 | 206301 | 39 | 3H-QNB | -1 | 20 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-QNB | -1 | 20 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-QNB | -1 | 20 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-MQNB(-) | -1 | 20 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-MQNB(-) | -1 | 20 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-MQNB(-) | -1 | 20 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-cGMP | -1 | 20 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-cGMP | -1 | 20 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-cGMP | -1 | 20 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-MQNB(-) | -1 | 20 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-MQNB(-) | -1 | 20 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-MQNB(-) | -1 | 20 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 2381 | 656 | 43 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 656 | 43 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 656 | 43 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 656 | 43 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 656 | 43 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 12057539 | 206301 | 39 | 3H-PIRENZEPINE | -1 | 20 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-PIRENZEPINE | -1 | 20 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-PIRENZEPINE | -1 | 20 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 1734 | 116 | 8 | 3H-NMS | -1 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-NMS | -1 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-NMS | -1 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 3042 | 1386 | 31 | 3H-PIRENZEPINE | -1 | 15 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1386 | 31 | 3H-PIRENZEPINE | -1 | 15 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1386 | 31 | 3H-PIRENZEPINE | -1 | 15 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1386 | 31 | 3H-PIRENZEPINE | -1 | 15 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1386 | 31 | 3H-PIRENZEPINE | -1 | 15 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 1734 | 116 | 8 | 3H-4-DAMP | -1 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-4-DAMP | -1 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-4-DAMP | -1 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 2028 | 2931 | 77 | 3H-PIRENZEPINE | -2 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2931 | 77 | 3H-PIRENZEPINE | -2 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2931 | 77 | 3H-PIRENZEPINE | -2 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2931 | 77 | 3H-PIRENZEPINE | -2 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2931 | 77 | 3H-PIRENZEPINE | -2 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 12057539 | 206301 | 39 | 3H-Arachidonic Acid | -1 | 20 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-Arachidonic Acid | -1 | 20 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-Arachidonic Acid | -1 | 20 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 325 | 2031 | 0 | 3H-PIRENZEPINE | -3 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 3746 | 2031 | 0 | 3H-PIRENZEPINE | -3 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 657308 | 2031 | 0 | 3H-PIRENZEPINE | -3 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| CHEMBL1615433 | 2031 | 0 | 3H-PIRENZEPINE | -3 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| DB00332 | 2031 | 0 | 3H-PIRENZEPINE | -3 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 2745 | 3800 | 39 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | 3H-PIRENZEPINE | 2 | 9 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 71128 | 96362 | 18 | 3H-PIRENZEPINE | 3 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL26505 | 96362 | 18 | 3H-PIRENZEPINE | 3 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | None | ||
| 2028 | 2931 | 77 | UNDEFINED | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2931 | 77 | UNDEFINED | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2931 | 77 | UNDEFINED | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2931 | 77 | UNDEFINED | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2931 | 77 | UNDEFINED | -1 | 11 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 12057539 | 206301 | 39 | 3H-NMS | -1 | 20 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMS | -1 | 20 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMS | -1 | 20 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 1734 | 116 | 8 | 3H-PIRENZEPINE | -1 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-PIRENZEPINE | -1 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-PIRENZEPINE | -1 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 302 | 2929 | 23 | 3H-MQNB(-) | 3 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 4630 | 2929 | 23 | 3H-MQNB(-) | 3 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| CHEMBL7634 | 2929 | 23 | 3H-MQNB(-) | 3 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 12057539 | 206301 | 39 | 3H-NMS | -1 | 20 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-NMSP | -1 | 20 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMS | -1 | 20 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMSP | -1 | 20 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMS | -1 | 20 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMSP | -1 | 20 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 131632304 | 214266 | 0 | 3H-QNB | -7 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 1734 | 116 | 8 | 3H-MQNB(-) | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-MQNB(-) | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-MQNB(-) | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 1734 | 116 | 8 | 3H-PIRENZEPINE | -1 | 12 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-PIRENZEPINE | -1 | 12 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-PIRENZEPINE | -1 | 12 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 5387 | 94438 | 24 | 3H-PIRENZEPINE | 1 | 6 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| CHEMBL253978 | 94438 | 24 | 3H-PIRENZEPINE | 1 | 6 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| 135398737 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 42470 | 214429 | 0 | 3H-PIRENZEPINE | -7 | 6 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 345 | 10 | 0 | 3 | 4.9 | CCN(CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC | None | ||
| 132947 | 3803 | 8 | 3H-NMS | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | None | ||
| 361 | 3803 | 8 | 3H-NMS | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | None | ||
| CHEMBL265256 | 3803 | 8 | 3H-NMS | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | None | ||
| 2745 | 3800 | 39 | 3H-QNB | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | 3H-QNB | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | 3H-QNB | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | 3H-QNB | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | 3H-QNB | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | 3H-QNB | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 2905 | 214622 | 0 | 3H-PIRENZEPINE | 1 | 5 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | UNDEFINED | -2 | 91 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 44431393 | 87596 | 0 | UNDEFINED | -15 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 402 | 6 | 1 | 5 | 3.5 | CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 | None | ||
| CHEMBL234440 | 87596 | 0 | UNDEFINED | -15 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 402 | 6 | 1 | 5 | 3.5 | CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 | None | ||
| 135398737 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398745 | 2869 | 108 | 3H-PIRENZEPINE | -4 | 65 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -4 | 65 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-PIRENZEPINE | -4 | 65 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -4 | 65 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-PIRENZEPINE | -4 | 65 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -4 | 65 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-PIRENZEPINE | -4 | 65 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -4 | 65 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 4993 | 214400 | 0 | 3H-MQNB(-) | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 248 | 2 | 2 | 4 | 2.5 | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl | None | ||
| 1712 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 4078 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 7227 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| CHEMBL1088 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| DB00933 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 11434515 | 259 | 3 | None | -8 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 11519741 | 259 | 3 | None | -8 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 4484 | 259 | 3 | None | -8 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 7449 | 259 | 3 | None | -8 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| CHEMBL1194325 | 259 | 3 | None | -8 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| DB08897 | 259 | 3 | None | -8 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1224 | 1404 | 79 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1404 | 79 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1404 | 79 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1404 | 79 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1404 | 79 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1404 | 79 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 2337 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2337 | 3205 | 72 | UNDEFINED | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | UNDEFINED | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | UNDEFINED | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | UNDEFINED | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | UNDEFINED | -18 | 62 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 154825138 | 214267 | 0 | 3H-4-DAMP | -19 | 12 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 154825138 | 214267 | 0 | 3H-PIRENZEPINE | -17 | 12 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 202 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 60835 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 972 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| CHEMBL1175 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| DB00476 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 46222048 | 8896 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | ||
| CHEMBL1098230 | 8896 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | ||
| 5656 | 201377 | 82 | UNDEFINED | -25 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 201377 | 82 | UNDEFINED | -25 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 54841 | 201437 | 51 | UNDEFINED | -1 | 28 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| CHEMBL641 | 201437 | 51 | UNDEFINED | -1 | 28 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| 3075702 | 215594 | 0 | 3H-PIRENZEPINE | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
| 145 | 140 | 48 | 3H-QNB | -1949 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 1832 | 140 | 48 | 3H-QNB | -1949 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| CHEMBL7257 | 140 | 48 | 3H-QNB | -1949 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| DB14010 | 140 | 48 | 3H-QNB | -1949 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 187 | 253 | 34 | 3H-NMS | -93 | 9 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | 3H-NMS | -93 | 9 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | 3H-NMS | -93 | 9 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | 3H-NMS | -93 | 9 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | 3H-NMS | -93 | 9 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | 3H-NMS | -93 | 9 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 179 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 141 | 1399 | 32 | 3H-QNB | -114 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 6089 | 1399 | 32 | 3H-QNB | -114 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| CHEMBL12420 | 1399 | 32 | 3H-QNB | -114 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| DB01488 | 1399 | 32 | 3H-QNB | -114 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 1353 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1353 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1588 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 119570 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2389 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 128563 | 3408 | 28 | 3H-QNB | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 1666 | 3408 | 28 | 3H-QNB | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| CHEMBL445332 | 3408 | 28 | 3H-QNB | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| DB12327 | 3408 | 28 | 3H-QNB | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 213 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 185 | 3943 | 54 | 3H-QNB | -30902 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 5311271 | 3943 | 54 | 3H-QNB | -30902 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| CHEMBL74355 | 3943 | 54 | 3H-QNB | -30902 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| DB16351 | 3943 | 54 | 3H-QNB | -30902 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 2865 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 103 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 10297 | 26905 | 29 | 3H-QNB | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| CHEMBL136560 | 26905 | 29 | 3H-QNB | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| 115237 | 55296 | 113 | 3H-QNB | -7762 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55296 | 113 | 3H-QNB | -7762 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 442108 | 84213 | 5 | 3H-QNB | -1 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 310 | 2 | 1 | 2 | 3.9 | CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13 | None | ||
| CHEMBL222287 | 84213 | 5 | 3H-QNB | -1 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 310 | 2 | 1 | 2 | 3.9 | CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13 | None | ||
| 3025067 | 98923 | 58 | 3H-PIRENZEPINE | -512 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | None | ||
| 65853 | 98923 | 58 | 3H-PIRENZEPINE | -512 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | None | ||
| CHEMBL282614 | 98923 | 58 | 3H-PIRENZEPINE | -512 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | None | ||
| 3663 | 99505 | 79 | 3H-QNB | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| CHEMBL286494 | 99505 | 79 | 3H-QNB | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| 3452843 | 119020 | 13 | 3H-PIRENZEPINE | -1 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | None | ||
| CHEMBL345686 | 119020 | 13 | 3H-PIRENZEPINE | -1 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | None | ||
| 446220 | 132998 | 13 | 3H-QNB | -1778 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| CHEMBL370805 | 132998 | 13 | 3H-QNB | -1778 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| 44208932 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| CHEMBL381689 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| 1615 | 167228 | 22 | 3H-QNB | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167228 | 22 | 3H-QNB | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 5280343 | 187691 | 119 | 3H-QNB | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL1520590 | 187691 | 119 | 3H-QNB | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL50 | 187691 | 119 | 3H-QNB | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| 162265 | 200587 | 19 | 3H-QNB | -16 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200587 | 19 | 3H-QNB | -16 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200587 | 19 | 3H-QNB | -16 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 5281600 | 201336 | 85 | 3H-QNB | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL63354 | 201336 | 85 | 3H-QNB | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| 5656 | 201377 | 82 | 3H-QNB | -25 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 201377 | 82 | 3H-QNB | -25 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 202478 | 202981 | 15 | 3H-QNB | -97 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
| CHEMBL7393 | 202981 | 15 | 3H-QNB | -97 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
| 5311189 | 203133 | 4 | 3H-QNB | -194 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
| CHEMBL7549 | 203133 | 4 | 3H-QNB | -194 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
| 4158 | 203630 | 21 | 3H-QNB | -141 | 20 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL1722 | 203630 | 21 | 3H-QNB | -141 | 20 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL796 | 203630 | 21 | 3H-QNB | -141 | 20 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| 4054 | 203790 | 64 | 3H-QNB | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 203790 | 64 | 3H-QNB | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 203790 | 64 | 3H-QNB | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 5324346 | 203870 | 53 | 3H-NMS | -1 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | None | ||
| CHEMBL1409 | 203870 | 53 | 3H-NMS | -1 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | None | ||
| CHEMBL814 | 203870 | 53 | 3H-NMS | -1 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | None | ||
| 16231 | 205776 | 53 | 3H-PIRENZEPINE | -7 | 16 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | None | ||
| CHEMBL945 | 205776 | 53 | 3H-PIRENZEPINE | -7 | 16 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | None | ||
| 5831 | 214185 | 0 | 3H-MQNB(-) | -64 | 12 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 5831 | 214185 | 0 | 3H-NMS | -64 | 12 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 11954259 | 214201 | 0 | 3H-QNB | -16982 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 15387 | 214209 | 0 | 3H-QNB | -1819 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F | None | ||
| 444 | 214245 | 0 | 3H-QNB | -2089 | 17 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 239 | 3 | 1 | 2 | 3.3 | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C | None | ||
| None | 214256 | 0 | 3H-PIRENZEPINE | -6309 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 453 | 9 | 2 | 6 | 2.6 | COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N.Cl | None | ||
| 37632 | 214375 | 0 | 3H-QNB | -1 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 3 | 0 | 5 | 3.3 | CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 | None | ||
| 40589 | 214376 | 0 | 3H-QNB | -407 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 377 | 7 | 0 | 6 | 2.5 | CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl | None | ||
| 25137849 | 214425 | 0 | 3H-QNB | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 71290 | 214425 | 0 | 3H-QNB | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| None | 214555 | 0 | 3H-NMS | -1 | 3 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 483 | 7 | 3 | 4 | 4.4 | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C | None | ||
| None | 214556 | 0 | 3H-NMS | -1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 433 | 6 | 3 | 3 | 4.6 | CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C | None | ||
| None | 214560 | 0 | 3H-QNB | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
| None | 214561 | 0 | 3H-QNB | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
| None | 214562 | 0 | 3H-QNB | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
| None | 214563 | 0 | 3H-QNB | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
| None | 214564 | 0 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
| None | 214565 | 0 | 3H-QNB | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
| None | 214566 | 0 | 3H-QNB | -1 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
| None | 214567 | 0 | 3H-QNB | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | ||
| None | 214574 | 0 | 3H-QNB | -13 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
| 1576 | 214575 | 0 | 3H-QNB | -16 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
| None | 214576 | 0 | 3H-QNB | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | ||
| 4978 | 214577 | 0 | 3H-QNB | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | ||
| None | 214578 | 0 | 3H-QNB | -3 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
| None | 214579 | 0 | 3H-QNB | -281 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
| None | 214580 | 0 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | ||
| 123619 | 214644 | 0 | 3H-QNB | -1412 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | ||
| None | 214752 | 0 | 3H-NMS | -10471285 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 372 | 2 | 1 | 3 | 4.4 | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl | None | ||
| None | 214753 | 0 | 3H-NMS | 1 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 399 | 7 | 4 | 5 | 1.8 | CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O | None | ||
| 1209 | 1628 | 69 | 3H-QNB | -44 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1628 | 69 | 3H-QNB | -44 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1628 | 69 | 3H-QNB | -44 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1628 | 69 | 3H-QNB | -44 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1628 | 69 | 3H-QNB | -44 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 154825138 | 214267 | 0 | 3H-NMS | -19 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 2865 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 1212 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 180 | 397 | 50 | 3H-Arachidonic Acid | -14 | 38 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 397 | 50 | 3H-Arachidonic Acid | -14 | 38 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 397 | 50 | 3H-Arachidonic Acid | -14 | 38 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 397 | 50 | 3H-Arachidonic Acid | -14 | 38 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 397 | 50 | 3H-Arachidonic Acid | -14 | 38 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 11976 | 907 | 54 | 3H-QNB | -12 | 23 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 907 | 54 | 3H-QNB | -12 | 23 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 907 | 54 | 3H-QNB | -12 | 23 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 907 | 54 | 3H-QNB | -12 | 23 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 124226 | 1890 | 0 | 3H-NMS | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 322 | 1890 | 0 | 3H-NMS | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 2995 | 202700 | 49 | 3H-QNB | -3 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 202700 | 49 | 3H-QNB | -3 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 202700 | 49 | 3H-QNB | -3 | 22 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 1613 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 277 | 1274 | 55 | 3H-QNB | -8 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1274 | 55 | 3H-QNB | -8 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1274 | 55 | 3H-QNB | -8 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1274 | 55 | 3H-QNB | -8 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1274 | 55 | 3H-QNB | -8 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 44431383 | 87594 | 0 | UNDEFINED | -6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 346 | 6 | 1 | 4 | 3.7 | CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 | None | ||
| CHEMBL234439 | 87594 | 0 | UNDEFINED | -6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 346 | 6 | 1 | 4 | 3.7 | CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 | None | ||
| 5831 | 214185 | 0 | 3H-QNB | -6 | 12 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 2200 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 2337 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2337 | 3205 | 72 | 3H-PIRENZEPINE | -13 | 62 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-PIRENZEPINE | -13 | 62 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-PIRENZEPINE | -13 | 62 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-PIRENZEPINE | -13 | 62 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-PIRENZEPINE | -13 | 62 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 208 | 2820 | 0 | 3H-QNB | -13 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 4541 | 2820 | 0 | 3H-QNB | -13 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL1494 | 2820 | 0 | 3H-QNB | -13 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 2166 | 3074 | 46 | 3H-MQNB(-) | -1230 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3074 | 46 | 3H-MQNB(-) | -1230 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3074 | 46 | 3H-MQNB(-) | -1230 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3074 | 46 | 3H-MQNB(-) | -1230 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3074 | 46 | 3H-MQNB(-) | -1230 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 2745 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | 3H-NMS | -3 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 2771 | 193347 | 67 | 3H-NMS | -2 | 26 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| 2771 | 193347 | 67 | 3H-QNB | -2 | 26 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL1200781 | 193347 | 67 | 3H-NMS | -2 | 26 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL1200781 | 193347 | 67 | 3H-QNB | -2 | 26 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL549 | 193347 | 67 | 3H-NMS | -2 | 26 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL549 | 193347 | 67 | 3H-QNB | -2 | 26 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| 214 | 3799 | 52 | 3H-QNB | -1548 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 2740 | 3799 | 52 | 3H-QNB | -1548 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 5566 | 3799 | 52 | 3H-QNB | -1548 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 66064 | 3799 | 52 | 3H-QNB | -1548 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL422 | 3799 | 52 | 3H-QNB | -1548 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00831 | 3799 | 52 | 3H-QNB | -1548 | 29 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 62865 | 1248 | 0 | 3H-PIRENZEPINE | -3 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 746 | 1248 | 0 | 3H-PIRENZEPINE | -3 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 84 | 1248 | 0 | 3H-PIRENZEPINE | -3 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| CHEMBL2104153 | 1248 | 0 | 3H-PIRENZEPINE | -3 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| DB09000 | 1248 | 0 | 3H-PIRENZEPINE | -3 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 2200 | 3082 | 38 | 3H-MQNB(-) | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-MQNB(-) | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-MQNB(-) | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-MQNB(-) | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-MQNB(-) | -1 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 68617 | 203816 | 60 | 3H-QNB | -25 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL1709 | 203816 | 60 | 3H-QNB | -25 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL809 | 203816 | 60 | 3H-QNB | -25 | 25 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 2337 | 3205 | 72 | 3H-NMS | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-NMS | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-NMS | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-NMS | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-NMS | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2337 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 310 | 1891 | 0 | 3H-MQNB(-) | -4 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1891 | 0 | 3H-MQNB(-) | -4 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1891 | 0 | 3H-MQNB(-) | -4 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 180 | 397 | 50 | 3H-QNB | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 397 | 50 | 3H-QNB | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 397 | 50 | 3H-QNB | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 397 | 50 | 3H-QNB | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 397 | 50 | 3H-QNB | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 310 | 1891 | 0 | 3H-PIRENZEPINE | -5 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1891 | 0 | 3H-PIRENZEPINE | -5 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1891 | 0 | 3H-PIRENZEPINE | -5 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 44431388 | 86891 | 0 | UNDEFINED | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 348 | 6 | 1 | 5 | 2.8 | CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 | None | ||
| CHEMBL233202 | 86891 | 0 | UNDEFINED | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 348 | 6 | 1 | 5 | 2.8 | CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 | None | ||
| 2771 | 193347 | 67 | 3H-NMS | -2 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL1200781 | 193347 | 67 | 3H-NMS | -2 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL549 | 193347 | 67 | 3H-NMS | -2 | 26 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| 1353 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1353 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-QNB | -758 | 85 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1712 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 4078 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 7227 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| CHEMBL1088 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| DB00933 | 2456 | 0 | 3H-QNB | -2 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 154734599 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| None | 214502 | 0 | 3H-PIRENZEPINE | -1258 | 18 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 4 | 2.8 | C1=CC(=CC=C1CCNC(N)SCCCC2=CN=CN2)I | None | ||
| 15387 | 214209 | 0 | 3H-QNB | -1819 | 23 | Human | 4.8 | pKi | = | 4.8 | Binding | PDSP KiDatabase | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F | None | ||
| 154734599 | 2467 | 8 | 3H-NMS | -3 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-NMS | -3 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-NMS | -3 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-NMS | -3 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -2 | 13 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1353 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1353 | 1880 | 85 | UNDEFINED | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | UNDEFINED | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | UNDEFINED | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | UNDEFINED | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | UNDEFINED | -812 | 85 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 114743 | 214331 | 0 | 3H-QNB | 1 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 291 | 1 | 1 | 1 | 4.9 | C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)N | None | ||
| 209 | 3008 | 94 | 3H-QNB | -2398 | 23 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 2113 | 3008 | 94 | 3H-QNB | -2398 | 23 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4748 | 3008 | 94 | 3H-QNB | -2398 | 23 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL567 | 3008 | 94 | 3H-QNB | -2398 | 23 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00850 | 3008 | 94 | 3H-QNB | -2398 | 23 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 1613 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| None | 214486 | 0 | 3H-QNB | -20892 | 29 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| 103 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 16721019 | 87558 | 0 | UNDEFINED | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 362 | 7 | 2 | 5 | 2.5 | CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 | None | ||
| CHEMBL234258 | 87558 | 0 | UNDEFINED | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 362 | 7 | 2 | 5 | 2.5 | CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 | None | ||
| 44431382 | 87593 | 0 | UNDEFINED | -7 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 332 | 6 | 1 | 4 | 3.3 | CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1 | None | ||
| CHEMBL234438 | 87593 | 0 | UNDEFINED | -7 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 332 | 6 | 1 | 4 | 3.3 | CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1 | None | ||
| 20980871 | 214683 | 0 | 3H-QNB | -4 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 295 | 3 | 0 | 2 | 4.7 | CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31 | None | ||
| 103 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | 3H-QNB | -93 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 3337 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 44431389 | 145618 | 0 | UNDEFINED | -10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 348 | 6 | 2 | 5 | 2.3 | CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 | None | ||
| CHEMBL391977 | 145618 | 0 | UNDEFINED | -10 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 348 | 6 | 2 | 5 | 2.3 | CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 | None | ||
| None | 214505 | 0 | 3H-4-DAMP | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 851 | 24 | 12 | 12 | -2.6 | CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4 | None | ||
| 10090005 | 214210 | 0 | 3H-QNB | -67 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 361 | 1 | 0 | 3 | 4.4 | CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)C(=CC#N)C4=CC=CC=C42 | None | ||
| 11548 | 214402 | 0 | 3H-MQNB(-) | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 196 | 3 | 1 | 2 | -2.8 | CC(C[N+](C)(C)C)OC(=O)N.[Cl-] | None | ||
| 135398745 | 2869 | 108 | 3H-PIRENZEPINE | -5 | 65 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-PIRENZEPINE | -5 | 65 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-PIRENZEPINE | -5 | 65 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-PIRENZEPINE | -5 | 65 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 130169 | 3548 | 0 | 3H-NMS | -1 | 5 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | None | ||
| 331 | 3548 | 0 | 3H-NMS | -1 | 5 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | None | ||
| None | 214504 | 0 | 3H-NMS | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 311 | 3 | 1 | 2 | 3.9 | C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O | None | ||
| 135398745 | 2869 | 108 | 3H-NMS | -5 | 65 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-NMS | -5 | 65 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-NMS | -5 | 65 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-NMS | -5 | 65 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 1734 | 116 | 8 | 3H-NMS | -1 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-NMS | -1 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-NMS | -1 | 12 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 100 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 44431372 | 86887 | 0 | UNDEFINED | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 368 | 7 | 1 | 4 | 3.7 | CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | None | ||
| CHEMBL233198 | 86887 | 0 | UNDEFINED | -4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 368 | 7 | 1 | 4 | 3.7 | CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | None | ||
| 154825138 | 214267 | 0 | 3H-NMS | -17 | 12 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 44431381 | 148489 | 0 | UNDEFINED | -8 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 318 | 6 | 1 | 4 | 2.9 | CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1 | None | ||
| CHEMBL394254 | 148489 | 0 | UNDEFINED | -8 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 318 | 6 | 1 | 4 | 2.9 | CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1 | None | ||
| 2200 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 154825138 | 214267 | 0 | 3H-NMS | -19 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -4 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| None | 214505 | 0 | 3H-NMS | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 851 | 24 | 12 | 12 | -2.6 | CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4 | None | ||
| 44431367 | 87554 | 0 | UNDEFINED | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 6 | 1 | 4 | 2.6 | CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1 | None | ||
| CHEMBL234252 | 87554 | 0 | UNDEFINED | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 6 | 1 | 4 | 2.6 | CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1 | None | ||
| 44431369 | 87555 | 0 | UNDEFINED | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 340 | 6 | 1 | 4 | 2.9 | Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | None | ||
| CHEMBL234253 | 87555 | 0 | UNDEFINED | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 340 | 6 | 1 | 4 | 2.9 | Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | None | ||
| 154825138 | 214267 | 0 | 3H-NMS | -19 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| None | 214401 | 0 | 3H-MQNB(-) | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 195 | 3 | 0 | 2 | -2.4 | CC(C[N+](C)(C)C)OC(=O)C.[Cl-] | None | ||
| 2200 | 3082 | 38 | 3H-MQNB(-) | -2 | 13 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-MQNB(-) | -2 | 13 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-MQNB(-) | -2 | 13 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-MQNB(-) | -2 | 13 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-MQNB(-) | -2 | 13 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2726 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 154734599 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 11976 | 907 | 54 | 3H-QNB | -12 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 907 | 54 | 3H-QNB | -12 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 907 | 54 | 3H-QNB | -12 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 907 | 54 | 3H-QNB | -12 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| None | 214504 | 0 | 3H-NMS | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 311 | 3 | 1 | 2 | 3.9 | C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O | None | ||
| 44431370 | 87556 | 0 | UNDEFINED | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 360 | 6 | 1 | 4 | 3.2 | CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1 | None | ||
| CHEMBL234254 | 87556 | 0 | UNDEFINED | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 360 | 6 | 1 | 4 | 3.2 | CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1 | None | ||
| 6450478 | 214238 | 0 | 3H-QNB | -5 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 340 | 0 | 0 | 6 | 3.4 | CN1CCN(CC1)C2=NC3=CSC=C3C(=CC#N)C4=CSC=C42 | None | ||
| 11954259 | 214201 | 0 | 3H-QNB | -16982 | 43 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 1973 | 201790 | 12 | 3H-PIRENZEPINE | 1 | 35 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 201790 | 12 | 3H-PIRENZEPINE | 1 | 35 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 201790 | 12 | 3H-PIRENZEPINE | 1 | 35 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| None | 214486 | 0 | 3H-QNB | -20892 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| 129989 | 447 | 41 | 3H-NMS | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| 8584 | 447 | 41 | 3H-NMS | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| CHEMBL43383 | 447 | 41 | 3H-NMS | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| 2389 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 2389 | 3279 | 114 | UNDEFINED | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | UNDEFINED | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | UNDEFINED | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | UNDEFINED | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | UNDEFINED | -3162 | 67 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 1830 | 2552 | 39 | 3H-QNB | -50118 | 27 | Human | 3.6 | pKi | = | 3.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 207 | 2552 | 39 | 3H-QNB | -50118 | 27 | Human | 3.6 | pKi | = | 3.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 23897 | 2552 | 39 | 3H-QNB | -50118 | 27 | Human | 3.6 | pKi | = | 3.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| CHEMBL460 | 2552 | 39 | 3H-QNB | -50118 | 27 | Human | 3.6 | pKi | = | 3.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| DB01618 | 2552 | 39 | 3H-QNB | -50118 | 27 | Human | 3.6 | pKi | = | 3.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 2230 | 461 | 55 | 3H-QNB | -89 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 296 | 461 | 55 | 3H-QNB | -89 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| CHEMBL7303 | 461 | 55 | 3H-QNB | -89 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| DB04365 | 461 | 55 | 3H-QNB | -89 | 10 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 5831 | 214185 | 0 | 3H-MQNB(-) | -6 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 108107 | 79534 | 30 | 3H-PIRENZEPINE | -4 | 15 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| 156592250 | 79534 | 30 | 3H-PIRENZEPINE | -4 | 15 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| CHEMBL1256878 | 79534 | 30 | 3H-PIRENZEPINE | -4 | 15 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| CHEMBL212579 | 79534 | 30 | 3H-PIRENZEPINE | -4 | 15 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| 187 | 253 | 34 | 3H-MQNB(-) | -93 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | 3H-MQNB(-) | -93 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | 3H-MQNB(-) | -93 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | 3H-MQNB(-) | -93 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | 3H-MQNB(-) | -93 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | 3H-MQNB(-) | -93 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 71202 | 214621 | 0 | 3H-PIRENZEPINE | 1 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 0 | 3 | 4.9 | CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C | None | ||
| 1734 | 116 | 8 | 3H-cGMP | -1 | 12 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-cGMP | -1 | 12 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-cGMP | -1 | 12 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 187 | 253 | 34 | 3H-MQNB(-) | -27 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | 3H-MQNB(-) | -27 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | 3H-MQNB(-) | -27 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | 3H-MQNB(-) | -27 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | 3H-MQNB(-) | -27 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | 3H-MQNB(-) | -27 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| None | 214506 | 0 | 3H-NMS | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 574 | 9 | 3 | 7 | 4.0 | CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.CS(=O)(=O)O | None | ||
| 2865 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 43815 | 186337 | 58 | 3H-QNB | -9 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL1708 | 186337 | 58 | 3H-QNB | -9 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL490 | 186337 | 58 | 3H-QNB | -9 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 1353 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-QNB | -812 | 85 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 135398737 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | 3H-NMSP | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-NMSP | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-NMSP | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-NMSP | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-NMS | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-NMSP | -2 | 91 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 44431380 | 87557 | 0 | UNDEFINED | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 318 | 5 | 1 | 4 | 2.9 | CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1 | None | ||
| CHEMBL234257 | 87557 | 0 | UNDEFINED | -6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 318 | 5 | 1 | 4 | 2.9 | CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1 | None | ||
| 154734599 | 2467 | 8 | 3H-MQNB(-) | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-MQNB(-) | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-MQNB(-) | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-MQNB(-) | -8 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 15897 | 2817 | 0 | 3H-QNB | -134 | 36 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2817 | 0 | 3H-QNB | -134 | 36 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2817 | 0 | 3H-QNB | -134 | 36 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 1212 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1632 | 45 | 3H-QNB | -691 | 65 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 2200 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 100 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 15897 | 2817 | 0 | 3H-QNB | -134 | 36 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2817 | 0 | 3H-QNB | -134 | 36 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2817 | 0 | 3H-QNB | -134 | 36 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 154734599 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 44431391 | 145888 | 0 | UNDEFINED | -8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 352 | 6 | 1 | 5 | 2.3 | CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 | None | ||
| CHEMBL392186 | 145888 | 0 | UNDEFINED | -8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 352 | 6 | 1 | 5 | 2.3 | CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 | None | ||
| 1192 | 147 | 41 | 3H-PIRENZEPINE | -58 | 16 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | None | ||
| 1794 | 147 | 41 | 3H-PIRENZEPINE | -58 | 16 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | None | ||
| CHEMBL501701 | 147 | 41 | 3H-PIRENZEPINE | -58 | 16 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | None | ||
| 1225 | 1443 | 24 | 3H-QNB | -58 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1443 | 24 | 3H-QNB | -58 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1443 | 24 | 3H-QNB | -58 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1443 | 24 | 3H-QNB | -58 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1443 | 24 | 3H-QNB | -58 | 21 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 44431376 | 86889 | 0 | UNDEFINED | -19 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 344 | 6 | 1 | 4 | 2.7 | CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1 | None | ||
| CHEMBL233200 | 86889 | 0 | UNDEFINED | -19 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 344 | 6 | 1 | 4 | 2.7 | CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1 | None | ||
| 2370 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 297 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 358 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| CHEMBL1482 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| DB01019 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 10938 | 1672 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| 299 | 1672 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| 3256 | 1672 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| CHEMBL2110739 | 1672 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| 2230 | 461 | 55 | 3H-MQNB(-) | -89 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 296 | 461 | 55 | 3H-MQNB(-) | -89 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| CHEMBL7303 | 461 | 55 | 3H-MQNB(-) | -89 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| DB04365 | 461 | 55 | 3H-MQNB(-) | -89 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 446220 | 132998 | 13 | None | -446 | 45 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| CHEMBL370805 | 132998 | 13 | None | -446 | 45 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| 4919 | 204511 | 21 | 3H-PIRENZEPINE | 1 | 9 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 204511 | 21 | 3H-PIRENZEPINE | 1 | 9 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 4919 | 204511 | 21 | 3H-QNB | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 204511 | 21 | 3H-QNB | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2869 | 108 | UNDEFINED | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | UNDEFINED | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | UNDEFINED | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | UNDEFINED | -5 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 4199 | 98389 | 36 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | None | ||
| CHEMBL278819 | 98389 | 36 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 298 | 5 | 1 | 5 | 2.2 | Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 | None | ||
| 3652 | 45983 | 62 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
| CHEMBL1535 | 45983 | 62 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
| 4543 | 169982 | 36 | 3H-QNB | -2 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1201156 | 169982 | 36 | 3H-QNB | -2 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL445 | 169982 | 36 | 3H-QNB | -2 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| 4601 | 205020 | 29 | 3H-PIRENZEPINE | -1 | 17 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 205020 | 29 | 3H-PIRENZEPINE | -1 | 17 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 205020 | 29 | 3H-PIRENZEPINE | -1 | 17 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 73707487 | 214624 | 0 | 3H-PIRENZEPINE | -5 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 355 | 3 | 1 | 4 | 2.5 | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br | None | ||
| 1427 | 1982 | 50 | 3H-QNB | -1 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 1982 | 50 | 3H-QNB | -1 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 1982 | 50 | 3H-QNB | -1 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 1982 | 50 | 3H-QNB | -1 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 1982 | 50 | 3H-QNB | -1 | 26 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 68617 | 203816 | 60 | 3H-NMS | -25 | 25 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL1709 | 203816 | 60 | 3H-NMS | -25 | 25 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL809 | 203816 | 60 | 3H-NMS | -25 | 25 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 310 | 1891 | 0 | 3H-NMS | -5 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1891 | 0 | 3H-NMS | -5 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1891 | 0 | 3H-NMS | -5 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 1267 | 3744 | 43 | 3H-PIRENZEPINE | -1905 | 25 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3744 | 43 | 3H-PIRENZEPINE | -1905 | 25 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3744 | 43 | 3H-PIRENZEPINE | -1905 | 25 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 2726 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 308 | 2029 | 20 | 3H-NMS | -1 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 3603 | 2029 | 20 | 3H-NMS | -1 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| CHEMBL1256682 | 2029 | 20 | 3H-NMS | -1 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 4601 | 205020 | 29 | 3H-QNB | 1 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 205020 | 29 | 3H-QNB | 1 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 205020 | 29 | 3H-QNB | 1 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 15897 | 2817 | 0 | 3H-QNB | -134 | 36 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2817 | 0 | 3H-QNB | -134 | 36 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2817 | 0 | 3H-QNB | -134 | 36 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 3294 | 1975 | 106 | 3H-NMS | -234 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1975 | 106 | 3H-NMS | -234 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1975 | 106 | 3H-NMS | -234 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1975 | 106 | 3H-NMS | -234 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1975 | 106 | 3H-NMS | -234 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 154734599 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 302 | 2929 | 23 | 3H-MQNB(-) | -20 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 4630 | 2929 | 23 | 3H-MQNB(-) | -20 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| CHEMBL7634 | 2929 | 23 | 3H-MQNB(-) | -20 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 4595 | 176141 | 102 | None | -4 | 15 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
| CHEMBL46 | 176141 | 102 | None | -4 | 15 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 293 | 2 | 0 | 4 | 3.1 | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O | None | ||
| 2719 | 904 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 5535 | 904 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 607 | 904 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| CHEMBL76 | 904 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| DB00608 | 904 | 66 | None | -6 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 1273 | 1724 | 14 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 3450 | 1724 | 14 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 356 | 1724 | 14 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 6172 | 1724 | 14 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 67425 | 1724 | 14 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| CHEMBL360055 | 1724 | 14 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| DB00483 | 1724 | 14 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 2448 | 214184 | 0 | None | -138 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F | None | ||
| 242 | 467 | 117 | None | -134 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | None | -134 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | None | -134 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | None | -134 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | None | -134 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 3294 | 1975 | 106 | None | -234 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1975 | 106 | None | -234 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1975 | 106 | None | -234 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1975 | 106 | None | -234 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1975 | 106 | None | -234 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 31703 | 193050 | 59 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | None | ||
| CHEMBL359744 | 193050 | 59 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | None | ||
| CHEMBL53463 | 193050 | 59 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | None | ||
| 448537 | 159703 | 86 | None | -28 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| CHEMBL411 | 159703 | 86 | None | -28 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | ||
| None | 214475 | 0 | 3H-NMS | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 426 | 7 | 1 | 3 | 4.0 | C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5 | None | ||
| 2166 | 3074 | 46 | None | -218 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3074 | 46 | None | -218 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3074 | 46 | None | -218 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3074 | 46 | None | -218 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3074 | 46 | None | -218 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 2389 | 3279 | 114 | None | -3162 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | None | -3162 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | None | -3162 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | None | -3162 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | None | -3162 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 2166 | 3074 | 46 | None | 218 | 8 | Fruit fly | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3074 | 46 | None | 218 | 8 | Fruit fly | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3074 | 46 | None | 218 | 8 | Fruit fly | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3074 | 46 | None | 218 | 8 | Fruit fly | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3074 | 46 | None | 218 | 8 | Fruit fly | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 212 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 2639 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 941651 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| CHEMBL1201 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| DB01623 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 4066 | 202920 | 72 | 3H-QNB | -1 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| CHEMBL73451 | 202920 | 72 | 3H-QNB | -1 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| 1836 | 2554 | 56 | None | -50 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| 3340 | 2554 | 56 | None | -50 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| 5281040 | 2554 | 56 | None | -50 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| CHEMBL787 | 2554 | 56 | None | -50 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| DB00471 | 2554 | 56 | None | -50 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | ||
| 66265 | 93579 | 12 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL248702 | 93579 | 12 | None | -1 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 1353 | 1880 | 85 | None | -758 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | None | -758 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | None | -758 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | None | -758 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | None | -758 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 2812 | 4711 | 96 | None | -20 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| CHEMBL104 | 4711 | 96 | None | -20 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| 107782 | 14330 | 16 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | ||
| 67151996 | 14330 | 16 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | ||
| CHEMBL1201207 | 14330 | 16 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | ||
| 1353 | 1880 | 85 | None | -812 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | None | -812 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | None | -812 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | None | -812 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | None | -812 | 85 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 187 | 253 | 34 | 3H-NMS | -27 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | 3H-NMS | -27 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | 3H-NMS | -27 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | 3H-NMS | -27 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | 3H-NMS | -27 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | 3H-NMS | -27 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 441383 | 20133 | 54 | None | -4 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| CHEMBL1306 | 20133 | 54 | None | -4 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 2771 | 193347 | 67 | None | -2 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL1200781 | 193347 | 67 | None | -2 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL549 | 193347 | 67 | None | -2 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| 44431384 | 148328 | 0 | UNDEFINED | -8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 384 | 6 | 1 | 4 | 4.0 | CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 | None | ||
| CHEMBL394137 | 148328 | 0 | UNDEFINED | -8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 384 | 6 | 1 | 4 | 4.0 | CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 | None | ||
| 42470 | 214429 | 0 | 3H-cGMP | -7 | 6 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 345 | 10 | 0 | 3 | 4.9 | CCN(CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC | None | ||
| 5353853 | 17803 | 41 | None | -14 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 9556529 | 17803 | 41 | None | -14 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL1262 | 17803 | 41 | None | -14 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 4098 | 32289 | 24 | None | -20 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| CHEMBL1255739 | 32289 | 24 | None | -20 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| CHEMBL1411979 | 32289 | 24 | None | -20 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| 657255 | 197406 | 29 | None | -12 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| CHEMBL588119 | 197406 | 29 | None | -12 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| 3389 | 215982 | 0 | None | -1 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | ||
| 154734599 | 2467 | 8 | 3H-4-DAMP | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 154734599 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-4-DAMP | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-4-DAMP | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-4-DAMP | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-NMS | -8 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 2865 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 2865 | 4079 | 67 | UNDEFINED | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | UNDEFINED | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | UNDEFINED | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | UNDEFINED | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | 3H-QNB | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | UNDEFINED | -1862 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 44431387 | 86890 | 0 | UNDEFINED | -7 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 350 | 6 | 1 | 5 | 2.9 | CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 | None | ||
| CHEMBL233201 | 86890 | 0 | UNDEFINED | -7 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 350 | 6 | 1 | 5 | 2.9 | CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 | None | ||
| 154825138 | 214267 | 0 | 3H-MQNB(-) | -19 | 12 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 44431375 | 86888 | 0 | UNDEFINED | -23 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 394 | 6 | 1 | 4 | 3.9 | CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1 | None | ||
| CHEMBL233199 | 86888 | 0 | UNDEFINED | -23 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 394 | 6 | 1 | 4 | 3.9 | CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1 | None | ||
| 134 | 2478 | 19 | 3H-QNB | -144 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2478 | 19 | 3H-QNB | -144 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2478 | 19 | 3H-QNB | -144 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2478 | 19 | 3H-QNB | -144 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2478 | 19 | 3H-QNB | -144 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1353 | 1880 | 85 | 3H-PIRENZEPINE | -812 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1353 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-PIRENZEPINE | -812 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-PIRENZEPINE | -812 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-PIRENZEPINE | -812 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-PIRENZEPINE | -812 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-PIRENZEPINE | -758 | 85 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 9905731 | 167943 | 0 | UNDEFINED | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 334 | 6 | 1 | 5 | 2.2 | CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1 | None | ||
| CHEMBL435353 | 167943 | 0 | UNDEFINED | -9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 334 | 6 | 1 | 5 | 2.2 | CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1 | None | ||
| 2230 | 461 | 55 | 3H-MQNB(-) | -5011 | 10 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 296 | 461 | 55 | 3H-MQNB(-) | -5011 | 10 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| CHEMBL7303 | 461 | 55 | 3H-MQNB(-) | -5011 | 10 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| DB04365 | 461 | 55 | 3H-MQNB(-) | -5011 | 10 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 1212 | 1632 | 45 | None | -691 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1632 | 45 | None | -691 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1632 | 45 | None | -691 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1632 | 45 | None | -691 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1632 | 45 | None | -691 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 4189 | 205195 | 91 | None | -14 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL1559 | 205195 | 91 | None | -14 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL91 | 205195 | 91 | None | -14 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -2 | 91 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 5318 | 15400 | 44 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1200348 | 15400 | 44 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1221 | 15400 | 44 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 1209 | 1628 | 69 | None | -44 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1628 | 69 | None | -44 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1628 | 69 | None | -44 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1628 | 69 | None | -44 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1628 | 69 | None | -44 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 1385580 | 29063 | 73 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | None | ||
| 4615 | 29063 | 73 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | None | ||
| CHEMBL13828 | 29063 | 73 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | None | ||
| 68617 | 203816 | 60 | None | -25 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL1709 | 203816 | 60 | None | -25 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL809 | 203816 | 60 | None | -25 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 12488 | 1627 | 51 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| 941361 | 1627 | 51 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| CHEMBL30008 | 1627 | 51 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| DB04841 | 1627 | 51 | None | -11 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| 1016 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2561 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2733526 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5384 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| CHEMBL83 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| DB00675 | 3690 | 75 | None | -12 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 4746 | 203183 | 29 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | ||
| CHEMBL1334033 | 203183 | 29 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | ||
| CHEMBL75880 | 203183 | 29 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | ||
| 176 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2157 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2566 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| CHEMBL633 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| DB01118 | 394 | 63 | None | -1 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 3198 | 203802 | 73 | None | -12 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1201049 | 203802 | 73 | None | -12 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL808 | 203802 | 73 | None | -12 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 1547484 | 927 | 70 | None | -10 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 654 | 927 | 70 | None | -10 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 9072 | 927 | 70 | None | -10 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL43064 | 927 | 70 | None | -10 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| DB00568 | 927 | 70 | None | -10 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 2200 | 3082 | 38 | 3H-4-DAMP | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-4-DAMP | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-4-DAMP | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-4-DAMP | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-4-DAMP | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 6918558 | 216013 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 411 | 10 | 1 | 4 | 5.4 | CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C | None | ||
| 1548955 | 88153 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 2800 | 88153 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| CHEMBL2355051 | 88153 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 2200 | 3082 | 38 | None | 1 | 13 | Fruit fly | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | None | 1 | 13 | Fruit fly | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | None | 1 | 13 | Fruit fly | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | None | 1 | 13 | Fruit fly | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | None | 1 | 13 | Fruit fly | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 237 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| 135 | 2496 | 38 | None | -24 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2496 | 38 | None | -24 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2496 | 38 | None | -24 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2496 | 38 | None | -24 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2496 | 38 | None | -24 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 2200 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 100 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | 3H-QNB | -2 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1210 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 905 | 45 | None | -63 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 191 | 399 | 92 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 201 | 399 | 92 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 2170 | 399 | 92 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| CHEMBL1113 | 399 | 92 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| DB00543 | 399 | 92 | None | -32 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 2865 | 4079 | 67 | None | -1862 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | None | -1862 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | None | -1862 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | None | -1862 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | None | -1862 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 72064 | 77994 | 9 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | None | ||
| CHEMBL2110892 | 77994 | 9 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | None | ||
| 11057 | 175575 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 3468 | 175575 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL459265 | 175575 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL64894 | 175575 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 21855 | 83830 | 35 | None | -16 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | None | ||
| CHEMBL22108 | 83830 | 35 | None | -16 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | None | ||
| 2247 | 502 | 77 | None | -23 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 502 | 77 | None | -23 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 502 | 77 | None | -23 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 502 | 77 | None | -23 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 502 | 77 | None | -23 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2274 | 3124 | 53 | None | -51 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4917 | 3124 | 53 | None | -51 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 7279 | 3124 | 53 | None | -51 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL728 | 3124 | 53 | None | -51 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00433 | 3124 | 53 | None | -51 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4212 | 197002 | 75 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | None | ||
| CHEMBL1417019 | 197002 | 75 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | None | ||
| CHEMBL58 | 197002 | 75 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | None | ||
| 22530 | 55838 | 54 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | None | ||
| CHEMBL1600878 | 55838 | 54 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | None | ||
| CHEMBL1625607 | 55838 | 54 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 276 | 2 | 0 | 2 | 3.7 | CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 | None | ||
| 2995 | 202700 | 49 | None | -3 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 202700 | 49 | None | -3 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 202700 | 49 | None | -3 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 6726 | 1254 | 46 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 7151 | 1254 | 46 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 749 | 1254 | 46 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL648 | 1254 | 46 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| DB01176 | 1254 | 46 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 2284 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4926 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 7281 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| CHEMBL564 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| DB00420 | 3133 | 27 | None | -12 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4011 | 81996 | 43 | None | -17 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 81996 | 43 | None | -17 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 2200 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 310 | 1891 | 0 | 3H-cGMP | -5 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1891 | 0 | 3H-cGMP | -5 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1891 | 0 | 3H-cGMP | -5 | 11 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 154734599 | 2467 | 8 | 3H-cGMP | -3 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-cGMP | -3 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-cGMP | -3 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-cGMP | -3 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 2726 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | 3H-QNB | -19 | 72 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 446220 | 132998 | 13 | 3H-PIRENZEPINE | -446 | 45 | Rat | 4.2 | pKi | = | 4.2 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| CHEMBL370805 | 132998 | 13 | 3H-PIRENZEPINE | -446 | 45 | Rat | 4.2 | pKi | = | 4.2 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| 5831 | 214185 | 0 | 3H-NMS | -6 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 1613 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2316 | 44 | 3H-QNB | -24 | 44 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 101 | 3762 | 18 | 3H-QNB | -999 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 55752 | 3762 | 18 | 3H-QNB | -999 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL35057 | 3762 | 18 | 3H-QNB | -999 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 2435 | 3533 | 78 | 3H-QNB | -1230 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 3533 | 78 | 3H-QNB | -1230 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 3533 | 78 | 3H-QNB | -1230 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 3533 | 78 | 3H-QNB | -1230 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 3533 | 78 | 3H-QNB | -1230 | 48 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 119376 | 1811 | 41 | 3H-PIRENZEPINE | -34673 | 26 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 247 | 1811 | 41 | 3H-PIRENZEPINE | -34673 | 26 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| CHEMBL33884 | 1811 | 41 | 3H-PIRENZEPINE | -34673 | 26 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 183782 | 3346 | 15 | 3H-PIRENZEPINE | -1513 | 14 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 237 | 3346 | 15 | 3H-PIRENZEPINE | -1513 | 14 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL85251 | 3346 | 15 | 3H-PIRENZEPINE | -1513 | 14 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 4839 | 214625 | 0 | 3H-PIRENZEPINE | -1 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 323 | 5 | 0 | 3 | 3.8 | CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 | None | ||
| 2774 | 3807 | 92 | 3H-PIRENZEPINE | -5 | 10 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3807 | 92 | 3H-PIRENZEPINE | -5 | 10 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3807 | 92 | 3H-PIRENZEPINE | -5 | 10 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3807 | 92 | 3H-PIRENZEPINE | -5 | 10 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3807 | 92 | 3H-PIRENZEPINE | -5 | 10 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3807 | 92 | 3H-PIRENZEPINE | -5 | 10 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 2389 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | 3H-QNB | -3162 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 3947 | 214378 | 0 | 3H-QNB | -3 | 15 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl | None | ||
| 135409468 | 2004 | 63 | 3H-QNB | -22 | 40 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 2004 | 63 | 3H-QNB | -22 | 40 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 2004 | 63 | 3H-QNB | -22 | 40 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 162265 | 200587 | 19 | 3H-QNB | -16 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200587 | 19 | 3H-QNB | -16 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200587 | 19 | 3H-QNB | -16 | 44 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 242 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 242 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 242 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-QNB | -134 | 51 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 154825138 | 214267 | 0 | 3H-PIRENZEPINE | -17 | 12 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 2335 | 11743 | 21 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 8478 | 11743 | 21 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL1182210 | 11743 | 21 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL221753 | 11743 | 21 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 1224 | 1404 | 79 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1404 | 79 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1404 | 79 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1404 | 79 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1404 | 79 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1404 | 79 | None | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 1530 | 2151 | 44 | None | -44 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 3827 | 2151 | 44 | None | -44 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 7206 | 2151 | 44 | None | -44 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| CHEMBL534 | 2151 | 44 | None | -44 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| DB00920 | 2151 | 44 | None | -44 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -5 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 6989215 | 1457 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
| 7391 | 1457 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
| 92974 | 1457 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
| 971 | 1457 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
| CHEMBL2103827 | 1457 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
| DB06262 | 1457 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | ||
| 3055 | 1405 | 43 | None | 1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 313 | 1405 | 43 | None | 1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 7163 | 1405 | 43 | None | 1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| CHEMBL936 | 1405 | 43 | None | 1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| DB01231 | 1405 | 43 | None | 1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 2562 | 202893 | 47 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| CHEMBL1256696 | 202893 | 47 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| CHEMBL73234 | 202893 | 47 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| 2774 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 3947 | 214378 | 0 | None | -3 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl | None | ||
| 310 | 1891 | 0 | 3H-PIRENZEPINE | -5 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1891 | 0 | 3H-PIRENZEPINE | -5 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1891 | 0 | 3H-PIRENZEPINE | -5 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 2337 | 3205 | 72 | None | -18 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | None | -18 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | None | -18 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | None | -18 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | None | -18 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 1427 | 1982 | 50 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 1982 | 50 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 1982 | 50 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 1982 | 50 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 1982 | 50 | None | -1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 4601 | 205020 | 29 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 205020 | 29 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 205020 | 29 | None | 1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 4543 | 169982 | 36 | None | -2 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1201156 | 169982 | 36 | None | -2 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL445 | 169982 | 36 | None | -2 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| 1225 | 1443 | 24 | None | -58 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1443 | 24 | None | -58 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1443 | 24 | None | -58 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1443 | 24 | None | -58 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1443 | 24 | None | -58 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 43815 | 186337 | 58 | None | -9 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL1708 | 186337 | 58 | None | -9 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL490 | 186337 | 58 | None | -9 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 73707487 | 214624 | 0 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 355 | 3 | 1 | 4 | 2.5 | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br | None | ||
| 5831 | 214185 | 0 | None | -64 | 12 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 135398745 | 2869 | 108 | None | -5 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | None | -5 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | None | -5 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | None | -5 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2726 | 906 | 64 | None | -19 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | None | -19 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | None | -19 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | None | -19 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | None | -19 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1726 | 2461 | 12 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 1993 | 2461 | 12 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 7438 | 2461 | 12 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| CHEMBL978 | 2461 | 12 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| DB06709 | 2461 | 12 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 2801 | 161325 | 56 | None | -1 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| CHEMBL1200710 | 161325 | 56 | None | -1 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| CHEMBL415 | 161325 | 56 | None | -1 | 28 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| 135398745 | 2869 | 108 | None | -4 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | None | -4 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | None | -4 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | None | -4 | 65 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 5831 | 214185 | 0 | None | -1 | 12 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 4976 | 201885 | 27 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| CHEMBL668 | 201885 | 27 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| 3103 | 214415 | 0 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 0 | 2 | 3.9 | CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3 | None | ||
| 6075 | 149575 | 36 | None | -2 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| CHEMBL395110 | 149575 | 36 | None | -2 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| 124087 | 1362 | 106 | None | -8 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 7157 | 1362 | 106 | None | -8 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 814 | 1362 | 106 | None | -8 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| CHEMBL1172 | 1362 | 106 | None | -8 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| DB00967 | 1362 | 106 | None | -8 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 5284550 | 215977 | 0 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12 | None | ||
| 103 | 4089 | 56 | None | -93 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | None | -93 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | None | -93 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | None | -93 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | None | -93 | 53 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 26987 | 936 | 29 | None | -45 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 6063 | 936 | 29 | None | -45 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 671 | 936 | 29 | None | -45 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| CHEMBL1626 | 936 | 29 | None | -45 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| DB00283 | 936 | 29 | None | -45 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 180 | 397 | 50 | None | -14 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 397 | 50 | None | -14 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 397 | 50 | None | -14 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 397 | 50 | None | -14 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 397 | 50 | None | -14 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 62865 | 1248 | 0 | None | -3 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 746 | 1248 | 0 | None | -3 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 84 | 1248 | 0 | None | -3 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| CHEMBL2104153 | 1248 | 0 | None | -3 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| DB09000 | 1248 | 0 | None | -3 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 135398745 | 2869 | 108 | 35S-GTPGammaS | -5 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 35S-GTPGammaS | -5 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 35S-GTPGammaS | -5 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 35S-GTPGammaS | -5 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 1209 | 1628 | 69 | 3H-NMS | -44 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1628 | 69 | 3H-NMS | -44 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1628 | 69 | 3H-NMS | -44 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1628 | 69 | 3H-NMS | -44 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1628 | 69 | 3H-NMS | -44 | 31 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 43815 | 186337 | 58 | 3H-NMS | -9 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL1708 | 186337 | 58 | 3H-NMS | -9 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL490 | 186337 | 58 | 3H-NMS | -9 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 135398745 | 2869 | 108 | 3H-NMS | -5 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2869 | 108 | 3H-NMSP | -5 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-NMS | -5 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-NMSP | -5 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-NMS | -5 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-NMSP | -5 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-NMS | -5 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-NMSP | -5 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| None | 214366 | 0 | 3H-QNB | -724 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 772 | 16 | 4 | 10 | 5.5 | CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O | None | ||
| 2448 | 214184 | 0 | 3H-QNB | -138 | 17 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 3 | 4.5 | C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F | None | ||
| 2448 | 214184 | 0 | 3H-QNB | -138 | 17 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 3 | 4.5 | C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F | None | ||
| 11957621 | 214268 | 0 | 3H-NMS | -1 | 10 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.Cl | None | ||
| 2274 | 3124 | 53 | 3H-QNB | -51 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4917 | 3124 | 53 | 3H-QNB | -51 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 7279 | 3124 | 53 | 3H-QNB | -51 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL728 | 3124 | 53 | 3H-QNB | -51 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00433 | 3124 | 53 | 3H-QNB | -51 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 11957621 | 214268 | 0 | 3H-NMS | 1 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.Cl | None | ||
| 46780481 | 107045 | 18 | 3H-NMS | -407 | 53 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107045 | 18 | 3H-NMS | -407 | 53 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107045 | 18 | 3H-NMS | -407 | 53 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107045 | 18 | 3H-NMS | -407 | 53 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 154734599 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-PIRENZEPINE | -3 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 3652 | 4034 | 72 | 3H-QNB | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4034 | 72 | 3H-QNB | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4034 | 72 | 3H-QNB | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4034 | 72 | 3H-QNB | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4034 | 72 | 3H-QNB | -10 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 154059 | 3580 | 49 | None | -1 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 2457 | 3580 | 49 | None | -1 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 7483 | 3580 | 49 | None | -1 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| CHEMBL1734 | 3580 | 49 | None | -1 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| DB01591 | 3580 | 49 | None | -1 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 277 | 1274 | 55 | None | -8 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1274 | 55 | None | -8 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1274 | 55 | None | -8 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1274 | 55 | None | -8 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1274 | 55 | None | -8 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 1712 | 2456 | 0 | None | -2 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 4078 | 2456 | 0 | None | -2 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 7227 | 2456 | 0 | None | -2 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| CHEMBL1088 | 2456 | 0 | None | -2 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| DB00933 | 2456 | 0 | None | -2 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 2200 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-QNB | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 290 | 2438 | 4 | 3H-MQNB(-) | 4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| 4022 | 2438 | 4 | 3H-MQNB(-) | 4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| 5926 | 2438 | 4 | 3H-MQNB(-) | 4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| CHEMBL40554 | 2438 | 4 | 3H-MQNB(-) | 4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| CHEMBL74300 | 2438 | 4 | 3H-MQNB(-) | 4 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| 2028 | 2931 | 77 | None | -2 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2931 | 77 | None | -2 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2931 | 77 | None | -2 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2931 | 77 | None | -2 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2931 | 77 | None | -2 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 319 | 1297 | 39 | None | -2 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 321 | 1297 | 39 | None | -2 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 444031 | 1297 | 39 | None | -2 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 784 | 1297 | 39 | None | -2 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| DB00496 | 1297 | 39 | None | -2 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 4919 | 204511 | 21 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 204511 | 21 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 2286 | 3134 | 48 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 4927 | 3134 | 48 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 7282 | 3134 | 48 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| CHEMBL643 | 3134 | 48 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| DB01069 | 3134 | 48 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 1086 | 1560 | 0 | None | 1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| 3290 | 1560 | 0 | None | 1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| 7181 | 1560 | 0 | None | 1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| CHEMBL1206 | 1560 | 0 | None | 1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| DB00392 | 1560 | 0 | None | 1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| 5648 | 78002 | 7 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | ||
| CHEMBL2107687 | 78002 | 7 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | ||
| CHEMBL2111176 | 78002 | 7 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | ||
| 100 | 3745 | 52 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | None | -2 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1371 | 1892 | 0 | None | -1 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| 24199 | 1892 | 0 | None | -1 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| 323 | 1892 | 0 | None | -1 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| CHEMBL1201325 | 1892 | 0 | None | -1 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| DB06787 | 1892 | 0 | None | -1 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| 3042 | 1386 | 31 | None | -1 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1386 | 31 | None | -1 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1386 | 31 | None | -1 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1386 | 31 | None | -1 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1386 | 31 | None | -1 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 656598 | 216020 | 0 | None | -1 | 4 | Fruit fly | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)[C@@H](CO)C1=CC=CC=C1 | None | ||
| 135398737 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 2220 | 3085 | 78 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| 27400 | 3085 | 78 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| 93 | 3085 | 78 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| CHEMBL294951 | 3085 | 78 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| DB06153 | 3085 | 78 | None | -1 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 0 | 0 | 2 | 4.4 | CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1 | None | ||
| 123134663 | 216005 | 0 | None | 1 | 3 | Dog | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 330 | 2 | 0 | 2 | 5.4 | C[N@+]12CCCC[C@@H]1CCC(C2)=C(C1=CC=CS1)C1=CC=CS1 | None | ||
| 4904 | 215997 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 | None | ||
| 279 | 1631 | 26 | 3H-QNB | -1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| 49381 | 1631 | 26 | 3H-QNB | -1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| CHEMBL63756 | 1631 | 26 | 3H-QNB | -1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 360 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 360 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 6472 | 201059 | 33 | None | 4 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| CHEMBL61946 | 201059 | 33 | None | 4 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| 3337 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 2337 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-QNB | -18 | 62 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 44431386 | 148493 | 0 | UNDEFINED | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 5 | 2.1 | CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1 | None | ||
| CHEMBL394255 | 148493 | 0 | UNDEFINED | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 5 | 2.1 | CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1 | None | ||
| 11954224 | 214174 | 0 | 3H-QNB | -1023 | 59 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 11653679 | 180609 | 1 | UNDEFINED | -131 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | None | ||
| CHEMBL476108 | 180609 | 1 | UNDEFINED | -131 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 374 | 6 | 0 | 3 | 4.7 | O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | None | ||
| 2028 | 2931 | 77 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2931 | 77 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2931 | 77 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2931 | 77 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2931 | 77 | None | -1 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 11968014 | 12649 | 4 | None | -5 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| CHEMBL1187846 | 12649 | 4 | None | -5 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| 154417 | 92828 | 57 | None | -2 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | None | ||
| CHEMBL2449003 | 92828 | 57 | None | -2 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | None | ||
| 2200 | 3082 | 38 | 3H-cGMP | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-cGMP | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-cGMP | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-cGMP | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-cGMP | -2 | 13 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 3042 | 1386 | 31 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1386 | 31 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1386 | 31 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1386 | 31 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1386 | 31 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 11968014 | 12649 | 4 | None | -5 | 9 | Fruit fly | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| CHEMBL1187846 | 12649 | 4 | None | -5 | 9 | Fruit fly | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| 1201549 | 590 | 22 | None | -1 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 333 | 590 | 22 | None | -1 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 7601 | 590 | 22 | None | -1 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1201203 | 590 | 22 | None | -1 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL438151 | 590 | 22 | None | -1 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| DB00245 | 590 | 22 | None | -1 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 11968014 | 12649 | 4 | None | 1 | 9 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| CHEMBL1187846 | 12649 | 4 | None | 1 | 9 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| 25897919 | 55363 | 11 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 657309 | 55363 | 11 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1464005 | 55363 | 11 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1621597 | 55363 | 11 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | None | -1 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | None | -1 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | None | -1 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 10129 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| 11753673 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| 5303 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| CHEMBL3833319 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| DB11855 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| 135398737 | 944 | 89 | 3H-PIRENZEPINE | -2 | 91 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-PIRENZEPINE | -2 | 91 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-PIRENZEPINE | -2 | 91 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-PIRENZEPINE | -2 | 91 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-PIRENZEPINE | -2 | 91 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-PIRENZEPINE | -6 | 91 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 25897919 | 55363 | 11 | None | -2 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 657309 | 55363 | 11 | None | -2 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1464005 | 55363 | 11 | None | -2 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1621597 | 55363 | 11 | None | -2 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 2200 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-PIRENZEPINE | -2 | 13 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 12057539 | 206301 | 39 | None | -1 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | None | -1 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | None | -1 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 1201549 | 590 | 22 | None | 1 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 333 | 590 | 22 | None | 1 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 7601 | 590 | 22 | None | 1 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1201203 | 590 | 22 | None | 1 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL438151 | 590 | 22 | None | 1 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| DB00245 | 590 | 22 | None | 1 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 11693 | 1797 | 12 | None | -6 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 3494 | 1797 | 12 | None | -6 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 4302 | 1797 | 12 | None | -6 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 7459 | 1797 | 12 | None | -6 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| CHEMBL1201335 | 1797 | 12 | None | -6 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| DB00986 | 1797 | 12 | None | -6 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 2293 | 3137 | 23 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| 329 | 3137 | 23 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| 4934 | 3137 | 23 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| CHEMBL1180725 | 3137 | 23 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| DB00782 | 3137 | 23 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| 367 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 5487427 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 8592 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL1900528 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL3305968 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL4650755 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| DB01409 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 11519069 | 3876 | 2 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 11519070 | 3876 | 2 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 4816 | 3876 | 2 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 7354 | 3876 | 2 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1187833 | 3876 | 2 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| DB09076 | 3876 | 2 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 7534 | 214623 | 0 | 3H-PIRENZEPINE | 2 | 5 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 291 | 3 | 1 | 4 | 2.5 | CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O | None | ||
| 290 | 2438 | 4 | 3H-MQNB(-) | -6 | 7 | Rat | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| 4022 | 2438 | 4 | 3H-MQNB(-) | -6 | 7 | Rat | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| 5926 | 2438 | 4 | 3H-MQNB(-) | -6 | 7 | Rat | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| CHEMBL40554 | 2438 | 4 | 3H-MQNB(-) | -6 | 7 | Rat | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| CHEMBL74300 | 2438 | 4 | 3H-MQNB(-) | -6 | 7 | Rat | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| 3012003 | 214377 | 0 | 3H-QNB | 1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 311 | 5 | 0 | 3 | 3.8 | CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3 | None | ||
| 3337 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | 3H-QNB | -81 | 40 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 2166 | 3074 | 46 | 3H-MQNB(-) | -218 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3074 | 46 | 3H-MQNB(-) | -218 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3074 | 46 | 3H-MQNB(-) | -218 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3074 | 46 | 3H-MQNB(-) | -218 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3074 | 46 | 3H-MQNB(-) | -218 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 62857 | 214427 | 0 | 3H-NMS | -15 | 7 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 345 | 6 | 1 | 2 | 4.9 | CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl | None | ||
| 10104 | 3510 | 7 | None | -6 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | ||
| 6604866 | 3510 | 7 | None | -6 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | ||
| CHEMBL1493369 | 3510 | 7 | None | -6 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | ||
| 10129 | 3270 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| 11753673 | 3270 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| 5303 | 3270 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| CHEMBL3833319 | 3270 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| DB11855 | 3270 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| 1201549 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| 333 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| 7601 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| CHEMBL1201203 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| CHEMBL438151 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| DB00245 | 590 | 22 | None | -1 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| 1086 | 1560 | 0 | None | 1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| 3290 | 1560 | 0 | None | 1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| 7181 | 1560 | 0 | None | 1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| CHEMBL1206 | 1560 | 0 | None | 1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| DB00392 | 1560 | 0 | None | 1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| 123603 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 2684 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 584 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 9658 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| CHEMBL168815 | 870 | 25 | None | -5 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| 367 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| 5487427 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| 8592 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| CHEMBL1900528 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| CHEMBL3305968 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| CHEMBL4650755 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| DB01409 | 3764 | 8 | None | -3 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| 314 | 2653 | 0 | None | 1122018 | 5 | Human | 11.1 | pKi | = | 11.1 | Binding | Guide to Pharmacology | None | None | None | None | 10799315 | ||||
| 314 | 2653 | 0 | None | 1122018 | 5 | Human | 11.1 | pKi | = | 11.1 | Binding | Guide to Pharmacology | None | None | None | None | 11015294 | ||||
| 314 | 2653 | 0 | None | 1122018 | 5 | Human | 11.1 | pKi | = | 11.1 | Binding | Guide to Pharmacology | None | None | None | None | 16439611 | ||||
| 2370 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| 2370 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| 297 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| 297 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| 358 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| 358 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| CHEMBL1482 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| CHEMBL1482 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| DB01019 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| DB01019 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 2551 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9614217 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 298 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9614217 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 488 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9614217 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| CHEMBL965 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9614217 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| DB00411 | 782 | 23 | None | -131 | 11 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9614217 | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 187 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 294 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 65 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 8593 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| CHEMBL667 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| DB03128 | 253 | 34 | None | -27 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 303 | 2930 | 16 | None | -144 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| 4629 | 2930 | 16 | None | -144 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| 8595 | 2930 | 16 | None | -144 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| CHEMBL44674 | 2930 | 16 | None | -144 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| 2166 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| 2166 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| 305 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| 305 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| 5910 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| 5910 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| CHEMBL550 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| CHEMBL550 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| DB01085 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| DB01085 | 3074 | 46 | None | -1230 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| 302 | 2929 | 23 | None | 3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 7620715 | ||
| 302 | 2929 | 23 | None | 3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9224827 | ||
| 4630 | 2929 | 23 | None | 3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 7620715 | ||
| 4630 | 2929 | 23 | None | 3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9224827 | ||
| CHEMBL7634 | 2929 | 23 | None | 3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 7620715 | ||
| CHEMBL7634 | 2929 | 23 | None | 3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9224827 | ||
| 2230 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| 2230 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| 2230 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| 296 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| 296 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| 296 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| CHEMBL7303 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| CHEMBL7303 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| CHEMBL7303 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| DB04365 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| DB04365 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| DB04365 | 461 | 55 | None | -89 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| 5441 | 2393 | 5 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 21558436 | ||
| 9893054 | 2393 | 5 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 21558436 | ||
| CHEMBL3616501 | 2393 | 5 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 21558436 | ||
| 2229 | 460 | 17 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 9224827 | ||
| 295 | 460 | 17 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 9224827 | ||
| CHEMBL128365 | 460 | 17 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 9224827 | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | ||
| 324 | 1894 | 12 | None | -13 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | ||
| 6436265 | 1894 | 12 | None | -13 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | ||
| CHEMBL277642 | 1894 | 12 | None | -13 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | ||
| 154734599 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 154734599 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 154734599 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9029489 | ||
| 154734599 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 327 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 327 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 327 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9029489 | ||
| 327 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 4108 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 4108 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 4108 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9029489 | ||
| 4108 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| CHEMBL27673 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| CHEMBL27673 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| CHEMBL27673 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9029489 | ||
| CHEMBL27673 | 2467 | 8 | None | -8 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 101244456 | 694 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 764 | 15 | 2 | 9 | 6.3 | O=C(CCc1ccc(n1B(F)F)/C=C/1\C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 19451648 | ||
| 8604 | 694 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 764 | 15 | 2 | 9 | 6.3 | O=C(CCc1ccc(n1B(F)F)/C=C/1\C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 19451648 | ||
| 6989215 | 1457 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 27085897 | ||
| 7391 | 1457 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 27085897 | ||
| 92974 | 1457 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 27085897 | ||
| 971 | 1457 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 27085897 | ||
| CHEMBL2103827 | 1457 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 27085897 | ||
| DB06262 | 1457 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 213 | 3 | 5 | 5 | -0.5 | OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N | 27085897 | ||
| 313 | 2652 | 0 | None | -32 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7925952 | ||||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9614217 | ||
| 3652 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9614217 | ||
| 57 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9614217 | ||
| 60809 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9614217 | ||
| CHEMBL21536 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9614217 | ||
| DB15357 | 4034 | 72 | None | -10 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 129989 | 447 | 41 | None | -9 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | ||
| 129989 | 447 | 41 | None | -9 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| 8584 | 447 | 41 | None | -9 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | ||
| 8584 | 447 | 41 | None | -9 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| CHEMBL43383 | 447 | 41 | None | -9 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | ||
| CHEMBL43383 | 447 | 41 | None | -9 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| 129786 | 1860 | 0 | None | 17 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 379 | 2 | 3 | 5 | 0.8 | NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10323493 | ||
| 129786 | 1860 | 0 | None | 17 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 379 | 2 | 3 | 5 | 0.8 | NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 8813552 | ||
| 3276 | 1860 | 0 | None | 17 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 379 | 2 | 3 | 5 | 0.8 | NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10323493 | ||
| 3276 | 1860 | 0 | None | 17 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 379 | 2 | 3 | 5 | 0.8 | NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 8813552 | ||
| 119357 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 3264 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 368 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| CHEMBL279453 | 301 | 42 | None | -5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 154059 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| 154059 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 2457 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| 2457 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 7483 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| 7483 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| CHEMBL1734 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| CHEMBL1734 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| DB01591 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| DB01591 | 3580 | 49 | None | -3 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 5282426 | 1438 | 0 | None | -4 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| 7549 | 1438 | 0 | None | -4 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| CHEMBL108947 | 1438 | 0 | None | -4 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| 24768606 | 3967 | 51 | None | 39 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| 3274 | 3967 | 51 | None | 39 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| CHEMBL1628667 | 3967 | 51 | None | 39 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| 180 | 397 | 50 | None | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 200 | 397 | 50 | None | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 2160 | 397 | 50 | None | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| CHEMBL629 | 397 | 50 | None | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| DB00321 | 397 | 50 | None | -14 | 38 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 2200 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 328 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 4848 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| CHEMBL9967 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| DB00670 | 3082 | 38 | None | -1 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 154059 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 16220976 | ||
| 2457 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 16220976 | ||
| 7483 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 16220976 | ||
| CHEMBL1734 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 16220976 | ||
| DB01591 | 3580 | 49 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 16220976 | ||
| 2028 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 16220976 | ||
| 359 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 16220976 | ||
| 4634 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 16220976 | ||
| CHEMBL1231 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 16220976 | ||
| DB01062 | 2931 | 77 | None | -2 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 16220976 | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| 2028 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 2028 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 359 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 359 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 4634 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 4634 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| CHEMBL1231 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| CHEMBL1231 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| DB01062 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| DB01062 | 2931 | 77 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 132947 | 3803 | 8 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | ||
| 361 | 3803 | 8 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | ||
| CHEMBL265256 | 3803 | 8 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | ||
| 2745 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 319 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 319 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 319 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 321 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 321 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 321 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 444031 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 444031 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 444031 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 784 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 784 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 784 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| DB00496 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| DB00496 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| DB00496 | 1297 | 39 | None | -2 | 9 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 3000322 | 3506 | 0 | None | -2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 12049493 | ||
| 3000322 | 3506 | 0 | None | -2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 27085897 | ||
| 330 | 3506 | 0 | None | -2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 12049493 | ||
| 330 | 3506 | 0 | None | -2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 27085897 | ||
| CHEMBL569713 | 3506 | 0 | None | -2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 12049493 | ||
| CHEMBL569713 | 3506 | 0 | None | -2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 27085897 | ||
| DB00747 | 3506 | 0 | None | -2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 12049493 | ||
| DB00747 | 3506 | 0 | None | -2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 27085897 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 16439611 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9029489 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9614217 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 16439611 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9029489 | ||
| 260 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9614217 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 16439611 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9029489 | ||
| 320 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9614217 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 16439611 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9029489 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9614217 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 16439611 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9029489 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9614217 | ||
| 3042 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1386 | 31 | None | -1 | 15 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 1734 | 116 | 8 | None | -1 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| 307 | 116 | 8 | None | -1 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| CHEMBL168067 | 116 | 8 | None | -1 | 12 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| 325 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 325 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| 3746 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 3746 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| 657308 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 657308 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| CHEMBL1615433 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| CHEMBL1615433 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| DB00332 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| DB00332 | 2031 | 0 | None | -1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| 2293 | 3137 | 23 | None | -1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| 329 | 3137 | 23 | None | -1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| 4934 | 3137 | 23 | None | -1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| CHEMBL1180725 | 3137 | 23 | None | -1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| DB00782 | 3137 | 23 | None | -1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| 11519069 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| 11519069 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 11519070 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| 11519070 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 4816 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| 4816 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 7354 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| 7354 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| CHEMBL1187833 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| CHEMBL1187833 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| DB09076 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| DB09076 | 3876 | 2 | None | -2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16439611 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16439611 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16439611 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16439611 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16439611 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16439611 | ||
| 42519285 | 2540 | 11 | None | -19 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | ||
| 8591 | 2540 | 11 | None | -19 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | ||
| CHEMBL3185781 | 2540 | 11 | None | -19 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | ||
| 162265 | 200587 | 19 | None | -16 | 44 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200587 | 19 | None | -16 | 44 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200587 | 19 | None | -16 | 44 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 134 | 2478 | 19 | None | -144 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2478 | 19 | None | -144 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2478 | 19 | None | -144 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2478 | 19 | None | -144 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2478 | 19 | None | -144 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 146570 | 43208 | 60 | None | -1 | 4 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL1508 | 43208 | 60 | None | -1 | 4 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| 3337 | 214441 | 0 | None | -81 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | None | -81 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | None | -81 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | None | -81 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 11954224 | 214174 | 0 | None | -1023 | 59 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 46780481 | 107045 | 18 | None | -407 | 53 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107045 | 18 | None | -407 | 53 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107045 | 18 | None | -407 | 53 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107045 | 18 | None | -407 | 53 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 3012003 | 214377 | 0 | None | 1 | 12 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 311 | 5 | 0 | 3 | 3.8 | CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3 | None | ||
| 11976 | 907 | 54 | None | -12 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 907 | 54 | None | -12 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 907 | 54 | None | -12 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 907 | 54 | None | -12 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 4066 | 202920 | 72 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| CHEMBL73451 | 202920 | 72 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| 4993 | 214400 | 0 | None | - | 1 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 248 | 2 | 2 | 4 | 2.5 | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl | None | ||
| 2370 | 616 | 30 | None | -389 | 5 | Rat | 3.7 | pKi | None | 3.7 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 2537406 | ||
| 297 | 616 | 30 | None | -389 | 5 | Rat | 3.7 | pKi | None | 3.7 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 2537406 | ||
| 358 | 616 | 30 | None | -389 | 5 | Rat | 3.7 | pKi | None | 3.7 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 2537406 | ||
| CHEMBL1482 | 616 | 30 | None | -389 | 5 | Rat | 3.7 | pKi | None | 3.7 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 2537406 | ||
| DB01019 | 616 | 30 | None | -389 | 5 | Rat | 3.7 | pKi | None | 3.7 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 2537406 | ||
| 2551 | 782 | 23 | None | -28 | 11 | Rat | 3.9 | pKi | None | 3.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 298 | 782 | 23 | None | -28 | 11 | Rat | 3.9 | pKi | None | 3.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 488 | 782 | 23 | None | -28 | 11 | Rat | 3.9 | pKi | None | 3.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| CHEMBL965 | 782 | 23 | None | -28 | 11 | Rat | 3.9 | pKi | None | 3.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| DB00411 | 782 | 23 | None | -28 | 11 | Rat | 3.9 | pKi | None | 3.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 10938 | 1672 | 0 | None | -1 | 4 | Human | 4.1 | pKi | None | 4.1 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| 299 | 1672 | 0 | None | -1 | 4 | Human | 4.1 | pKi | None | 4.1 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| 3256 | 1672 | 0 | None | -1 | 4 | Human | 4.1 | pKi | None | 4.1 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| CHEMBL2110739 | 1672 | 0 | None | -1 | 4 | Human | 4.1 | pKi | None | 4.1 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| 177233 | 3093 | 0 | None | - | 1 | Human | 4.4 | pKi | None | 4.4 | Binding | Guide to Pharmacology | 181 | 0 | 0 | 2 | 1.8 | CN1CCC2(CC1)CC(=C)C(O2)C | 1310135 | ||
| 285 | 3093 | 0 | None | - | 1 | Human | 4.4 | pKi | None | 4.4 | Binding | Guide to Pharmacology | 181 | 0 | 0 | 2 | 1.8 | CN1CCC2(CC1)CC(=C)C(O2)C | 1310135 | ||
| CHEMBL1194836 | 3093 | 0 | None | - | 1 | Human | 4.4 | pKi | None | 4.4 | Binding | Guide to Pharmacology | 181 | 0 | 0 | 2 | 1.8 | CN1CCC2(CC1)CC(=C)C(O2)C | 1310135 | ||
| 10313386 | 4062 | 0 | None | - | 1 | Human | 4.6 | pKi | None | 4.6 | Binding | Guide to Pharmacology | 181 | 0 | 0 | 2 | 1.8 | CN1CCC2(CC1)CC(=C)[C@H](O2)C | 1310135 | ||
| 287 | 4062 | 0 | None | - | 1 | Human | 4.6 | pKi | None | 4.6 | Binding | Guide to Pharmacology | 181 | 0 | 0 | 2 | 1.8 | CN1CCC2(CC1)CC(=C)[C@H](O2)C | 1310135 | ||
| 300 | 2474 | 13 | None | -4 | 5 | Human | 4.6 | pKi | None | 4.6 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 9224827 | ||
| 4141 | 2474 | 13 | None | -4 | 5 | Human | 4.6 | pKi | None | 4.6 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 9224827 | ||
| CHEMBL92387 | 2474 | 13 | None | -4 | 5 | Human | 4.6 | pKi | None | 4.6 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 9224827 | ||
| 301 | 2498 | 16 | None | -9 | 5 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | ||
| 9571002 | 2498 | 16 | None | -9 | 5 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | ||
| CHEMBL151938 | 2498 | 16 | None | -9 | 5 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | ||
| 2166 | 3074 | 46 | None | -218 | 8 | Rat | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 2537406 | ||
| 305 | 3074 | 46 | None | -218 | 8 | Rat | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 2537406 | ||
| 5910 | 3074 | 46 | None | -218 | 8 | Rat | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 2537406 | ||
| CHEMBL550 | 3074 | 46 | None | -218 | 8 | Rat | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 2537406 | ||
| DB01085 | 3074 | 46 | None | -218 | 8 | Rat | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 2537406 | ||
| 290 | 2438 | 4 | None | 4 | 7 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| 4022 | 2438 | 4 | None | 4 | 7 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| 5926 | 2438 | 4 | None | 4 | 7 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| CHEMBL40554 | 2438 | 4 | None | 4 | 7 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| CHEMBL74300 | 2438 | 4 | None | 4 | 7 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| 187 | 253 | 34 | None | -93 | 9 | Rat | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 294 | 253 | 34 | None | -93 | 9 | Rat | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 65 | 253 | 34 | None | -93 | 9 | Rat | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 8593 | 253 | 34 | None | -93 | 9 | Rat | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| CHEMBL667 | 253 | 34 | None | -93 | 9 | Rat | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| DB03128 | 253 | 34 | None | -93 | 9 | Rat | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 290 | 2438 | 4 | None | -6 | 7 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 2537406 | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 2537406 | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 2537406 | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 2537406 | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 2537406 | ||
| 2230 | 461 | 55 | None | -5011 | 10 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 2537406 | ||
| 296 | 461 | 55 | None | -5011 | 10 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 2537406 | ||
| CHEMBL7303 | 461 | 55 | None | -5011 | 10 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 2537406 | ||
| DB04365 | 461 | 55 | None | -5011 | 10 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 2537406 | ||
| 22991950 | 2297 | 0 | None | -2 | 6 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 448 | 7 | 2 | 2 | 5.9 | OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C | 12235229 | ||
| 326 | 2297 | 0 | None | -2 | 6 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 448 | 7 | 2 | 2 | 5.9 | OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C | 12235229 | ||
| 303 | 2930 | 16 | None | -19 | 6 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 2537406 | ||
| 4629 | 2930 | 16 | None | -19 | 6 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 2537406 | ||
| 8595 | 2930 | 16 | None | -19 | 6 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 2537406 | ||
| CHEMBL44674 | 2930 | 16 | None | -19 | 6 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 2537406 | ||
| 302 | 2929 | 23 | None | -20 | 7 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 2537406 | ||
| 4630 | 2929 | 23 | None | -20 | 7 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 2537406 | ||
| CHEMBL7634 | 2929 | 23 | None | -20 | 7 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 2537406 | ||
| 107867 | 2927 | 48 | None | -10 | 10 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| 107867 | 2927 | 48 | None | -10 | 10 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | ||
| 309 | 2927 | 48 | None | -10 | 10 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| 309 | 2927 | 48 | None | -10 | 10 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | ||
| CHEMBL17045 | 2927 | 48 | None | -10 | 10 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| CHEMBL17045 | 2927 | 48 | None | -10 | 10 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | ||
| 289 | 240 | 6 | None | -91 | 14 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 16207821 | ||
| 9948320 | 240 | 6 | None | -91 | 14 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 16207821 | ||
| CHEMBL1242950 | 240 | 6 | None | -91 | 14 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 16207821 | ||
| 312 | 2651 | 0 | None | 3 | 2 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12512959 | ||||
| 306 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| 3536 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| 53930639 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| 9577995 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| CHEMBL134641 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| 10426487 | 2798 | 4 | None | -2 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| 291 | 2798 | 4 | None | -2 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| CHEMBL99521 | 2798 | 4 | None | -2 | 5 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| 308 | 2029 | 20 | None | -1 | 9 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 12049493 | ||
| 308 | 2029 | 20 | None | -1 | 9 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| 3603 | 2029 | 20 | None | -1 | 9 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 12049493 | ||
| 3603 | 2029 | 20 | None | -1 | 9 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| CHEMBL1256682 | 2029 | 20 | None | -1 | 9 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 12049493 | ||
| CHEMBL1256682 | 2029 | 20 | None | -1 | 9 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| 311 | 2650 | 0 | None | 2 | 2 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 12512959 | ||||
| 311 | 2650 | 0 | None | 2 | 2 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 16439611 | ||||
| 310 | 1891 | 0 | None | -5 | 11 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| 310 | 1891 | 0 | None | -5 | 11 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 3602 | 1891 | 0 | None | -5 | 11 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| 3602 | 1891 | 0 | None | -5 | 11 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| CHEMBL3545990 | 1891 | 0 | None | -5 | 11 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| CHEMBL3545990 | 1891 | 0 | None | -5 | 11 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 310 | 1891 | 0 | None | -4 | 11 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| 3602 | 1891 | 0 | None | -4 | 11 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| CHEMBL3545990 | 1891 | 0 | None | -4 | 11 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| 154734599 | 2467 | 8 | None | -3 | 11 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 327 | 2467 | 8 | None | -3 | 11 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 4108 | 2467 | 8 | None | -3 | 11 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| CHEMBL27673 | 2467 | 8 | None | -3 | 11 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| 2200 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| 328 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| 4848 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| CHEMBL9967 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| DB00670 | 3082 | 38 | None | -2 | 13 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| 124226 | 1890 | 0 | None | 1 | 5 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 322 | 1890 | 0 | None | 1 | 5 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 1371 | 1892 | 0 | None | -1 | 5 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 24199 | 1892 | 0 | None | -1 | 5 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 323 | 1892 | 0 | None | -1 | 5 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| CHEMBL1201325 | 1892 | 0 | None | -1 | 5 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| DB06787 | 1892 | 0 | None | -1 | 5 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 293 | 2800 | 0 | None | 2 | 5 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 9985526 | 2800 | 0 | None | 2 | 5 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 10062394 | 2998 | 1 | None | -1 | 4 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 9224827 | ||
| 304 | 2998 | 1 | None | -1 | 4 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 9224827 | ||
| CHEMBL130715 | 2998 | 1 | None | -1 | 4 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 9224827 | ||
| 130169 | 3548 | 0 | None | -1 | 5 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 331 | 3548 | 0 | None | -1 | 5 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 1734 | 116 | 8 | None | -1 | 12 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||
| 307 | 116 | 8 | None | -1 | 12 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||
| CHEMBL168067 | 116 | 8 | None | -1 | 12 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||
| 174174 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12235229 | ||
| 174174 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| 174174 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 2704370 | ||
| 260 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12235229 | ||
| 260 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| 260 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 2704370 | ||
| 320 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12235229 | ||
| 320 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| 320 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 2704370 | ||
| CHEMBL517712 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12235229 | ||
| CHEMBL517712 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| CHEMBL517712 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 2704370 | ||
| DB00572 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12235229 | ||
| DB00572 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| DB00572 | 519 | 46 | None | -2 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 2704370 | ||
| 11757797 | 2799 | 0 | None | -1 | 5 | Human | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 292 | 2799 | 0 | None | -1 | 5 | Human | 9.9 | pKi | None | 9.9 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||