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 |
| 164617688 | 187937 | 0 | None | 416 | 2 | Human | 11.0 | pEC50 | = | 11.0 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4847536 | 187937 | 0 | None | 416 | 2 | Human | 11.0 | pEC50 | = | 11.0 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028449 | 187937 | 0 | None | 416 | 2 | Human | 11.0 | pEC50 | = | 11.0 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164622954 | 187981 | 0 | None | 245 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4871708 | 187981 | 0 | None | 245 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028726 | 187981 | 0 | None | 245 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164625303 | 188004 | 0 | None | 316 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4873082 | 188004 | 0 | None | 316 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028871 | 188004 | 0 | None | 316 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 164617772 | 187939 | 0 | None | 173 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4848793 | 187939 | 0 | None | 173 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028458 | 187939 | 0 | None | 173 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 368 | 7 | 5 | 5 | 2.6 | CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164615126 | 187920 | 0 | None | 104 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4854569 | 187920 | 0 | None | 104 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028293 | 187920 | 0 | None | 104 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 156010908 | 177758 | 0 | None | 2238 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1cccc(O)c1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4634131 | 177758 | 0 | None | 2238 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1cccc(O)c1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651173 | 177758 | 0 | None | 2238 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1cccc(O)c1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 164623230 | 187986 | 0 | None | 1479 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4865710 | 187986 | 0 | None | 1479 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028744 | 187986 | 0 | None | 1479 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 164618278 | 187942 | 0 | None | 389 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4848018 | 187942 | 0 | None | 389 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028489 | 187942 | 0 | None | 389 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164615492 | 187925 | 0 | None | 120 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4848704 | 187925 | 0 | None | 120 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028319 | 187925 | 0 | None | 120 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164623105 | 187983 | 0 | None | 47 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4862449 | 187983 | 0 | None | 47 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028738 | 187983 | 0 | None | 47 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164611794 | 187891 | 0 | None | 131 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4854261 | 187891 | 0 | None | 131 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028104 | 187891 | 0 | None | 131 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164612025 | 187893 | 0 | None | 2454 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4860454 | 187893 | 0 | None | 2454 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028117 | 187893 | 0 | None | 2454 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 164618895 | 187950 | 0 | None | 95 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4868938 | 187950 | 0 | None | 95 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028525 | 187950 | 0 | None | 95 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164610792 | 187884 | 0 | None | 134 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4855974 | 187884 | 0 | None | 134 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028040 | 187884 | 0 | None | 134 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 3.6 | Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 11504295 | 2878 | 40 | None | 1047 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.0c01195 | ||
| 4814 | 2878 | 40 | None | 1047 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.0c01195 | ||
| 7543 | 2878 | 40 | None | 1047 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL605846 | 2878 | 40 | None | 1047 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.0c01195 | ||
| DB09080 | 2878 | 40 | None | 1047 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1021/acs.jmedchem.0c01195 | ||
| 9957764 | 88279 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 503 | 11 | 6 | 6 | 3.6 | COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL236039 | 88279 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 503 | 11 | 6 | 6 | 3.6 | COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1 | 10.1016/j.bmcl.2007.09.031 | ||
| 11259765 | 85583 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 462 | 11 | 5 | 5 | 3.4 | CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.04.081 | ||
| CHEMBL230486 | 85583 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 462 | 11 | 5 | 5 | 3.4 | CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.04.081 | ||
| 11621158 | 16523 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 575 | 12 | 6 | 7 | 3.6 | CC(C)(Cc1cccc(CC(=O)NCc2ccc(O)cc2Cl)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1242943 | 16523 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 575 | 12 | 6 | 7 | 3.6 | CC(C)(Cc1cccc(CC(=O)NCc2ccc(O)cc2Cl)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 155517986 | 169640 | 0 | None | 478630 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4445289 | 169640 | 0 | None | 478630 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 155517986 | 169640 | 0 | None | 478630 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4445289 | 169640 | 0 | None | 478630 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 164621302 | 187966 | 0 | None | 120 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4863282 | 187966 | 0 | None | 120 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028641 | 187966 | 0 | None | 120 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 164623918 | 187993 | 0 | None | 199 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.8 | O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4872480 | 187993 | 0 | None | 199 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.8 | O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028793 | 187993 | 0 | None | 199 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.8 | O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| 44434130 | 88282 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 487 | 10 | 5 | 5 | 3.9 | C[C@H](Cc1ccc2[nH]c(C(=O)N(C)Cc3ccccc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL236041 | 88282 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 487 | 10 | 5 | 5 | 3.9 | C[C@H](Cc1ccc2[nH]c(C(=O)N(C)Cc3ccccc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 164615222 | 187922 | 0 | None | 91 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4857267 | 187922 | 0 | None | 91 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028301 | 187922 | 0 | None | 91 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164622827 | 187979 | 0 | None | 26 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4868585 | 187979 | 0 | None | 26 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028721 | 187979 | 0 | None | 26 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.9 | CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 11455274 | 16545 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 525 | 12 | 5 | 6 | 3.3 | CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243189 | 16545 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 525 | 12 | 5 | 6 | 3.3 | CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 164624634 | 188000 | 0 | None | 131 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4868684 | 188000 | 0 | None | 131 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028836 | 188000 | 0 | None | 131 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 156014115 | 177715 | 0 | None | 58 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccccc1CCC(C)(C)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4635163 | 177715 | 0 | None | 58 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccccc1CCC(C)(C)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650951 | 177715 | 0 | None | 58 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccccc1CCC(C)(C)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 11214499 | 85585 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 516 | 11 | 5 | 5 | 4.3 | C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm1005989 | ||
| CHEMBL230490 | 85585 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 516 | 11 | 5 | 5 | 4.3 | C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm1005989 | ||
| 164608750 | 187874 | 0 | None | 181 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4846631 | 187874 | 0 | None | 181 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5027923 | 187874 | 0 | None | 181 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| 156015148 | 177710 | 0 | None | 208 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4646881 | 177710 | 0 | None | 208 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650929 | 177710 | 0 | None | 208 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 164620479 | 187959 | 0 | None | 288 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4863847 | 187959 | 0 | None | 288 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028596 | 187959 | 0 | None | 288 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 11249243 | 16542 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 511 | 12 | 5 | 6 | 2.9 | C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243158 | 16542 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 511 | 12 | 5 | 6 | 2.9 | C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 156015482 | 177677 | 0 | None | 204 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1cccc(CCC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4641262 | 177677 | 0 | None | 204 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1cccc(CCC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650664 | 177677 | 0 | None | 204 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1cccc(CCC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| 164619360 | 187953 | 0 | None | 371 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4868763 | 187953 | 0 | None | 371 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028547 | 187953 | 0 | None | 371 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 370 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164623544 | 187989 | 0 | None | 2754 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 406 | 7 | 4 | 4 | 3.5 | O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4872653 | 187989 | 0 | None | 2754 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 406 | 7 | 4 | 4 | 3.5 | O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028764 | 187989 | 0 | None | 2754 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 406 | 7 | 4 | 4 | 3.5 | O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| 164612078 | 187894 | 0 | None | 64 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4848617 | 187894 | 0 | None | 64 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028119 | 187894 | 0 | None | 64 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.9 | COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 156014817 | 177729 | 0 | None | 134 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccccc1CCC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4642770 | 177729 | 0 | None | 134 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccccc1CCC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650993 | 177729 | 0 | None | 134 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccccc1CCC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 164617235 | 187934 | 0 | None | 251 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4848775 | 187934 | 0 | None | 251 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028422 | 187934 | 0 | None | 251 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 396 | 8 | 4 | 5 | 3.3 | COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 156013777 | 177773 | 0 | None | 134 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1cccc(O)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4636255 | 177773 | 0 | None | 134 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1cccc(O)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651241 | 177773 | 0 | None | 134 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1cccc(O)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 10390417 | 167202 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 480 | 10 | 6 | 7 | 3.0 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3nccs3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL430361 | 167202 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 480 | 10 | 6 | 7 | 3.0 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3nccs3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 49864395 | 15461 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221680 | 15461 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 11477877 | 16568 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 517 | 12 | 5 | 6 | 3.3 | C[C@H](Cc1cccc(CC(=O)NCC2CCCCC2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243348 | 16568 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 517 | 12 | 5 | 6 | 3.3 | C[C@H](Cc1cccc(CC(=O)NCC2CCCCC2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 13121366 | 176881 | 0 | None | 457 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 370 | 7 | 4 | 5 | 2.8 | CC(C)(CCc1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4638864 | 176881 | 0 | None | 457 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 370 | 7 | 4 | 5 | 2.8 | CC(C)(CCc1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 164612262 | 187895 | 0 | None | 190 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4853372 | 187895 | 0 | None | 190 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028127 | 187895 | 0 | None | 190 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 164614743 | 187915 | 0 | None | 134 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4860764 | 187915 | 0 | None | 134 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028269 | 187915 | 0 | None | 134 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 156014962 | 177675 | 0 | None | 229 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccc(CCC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4645203 | 177675 | 0 | None | 229 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccc(CCC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650644 | 177675 | 0 | None | 229 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccc(CCC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| 155536314 | 171609 | 0 | None | 6025 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4473515 | 171609 | 0 | None | 6025 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 155536314 | 171609 | 0 | None | 6025 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4473515 | 171609 | 0 | None | 6025 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 164620585 | 187960 | 0 | None | 616 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4866766 | 187960 | 0 | None | 616 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028602 | 187960 | 0 | None | 616 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 382 | 7 | 5 | 5 | 3.0 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 44434126 | 88281 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 519 | 11 | 6 | 6 | 4.3 | CSc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL236040 | 88281 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 519 | 11 | 6 | 6 | 4.3 | CSc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1 | 10.1016/j.bmcl.2007.09.031 | ||
| 10027868 | 144359 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 474 | 10 | 6 | 6 | 2.9 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccccn3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL391006 | 144359 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 474 | 10 | 6 | 6 | 2.9 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccccn3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 164618813 | 187949 | 0 | None | 275 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4865833 | 187949 | 0 | None | 275 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028523 | 187949 | 0 | None | 275 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.2 | Cc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 164623433 | 187987 | 0 | None | 380 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4870623 | 187987 | 0 | None | 380 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028756 | 187987 | 0 | None | 380 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2021.113697 | ||
| 156014983 | 177755 | 0 | None | 724 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4644638 | 177755 | 0 | None | 724 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651152 | 177755 | 0 | None | 724 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 386 | 7 | 5 | 6 | 2.5 | CC(C)(CCc1ccc(O)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 11261001 | 16546 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 525 | 13 | 5 | 6 | 2.9 | C[C@H](Cc1cccc(CC(=O)NCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243190 | 16546 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 525 | 13 | 5 | 6 | 2.9 | C[C@H](Cc1cccc(CC(=O)NCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 11489605 | 16553 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 541 | 13 | 5 | 7 | 2.9 | COc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243256 | 16553 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 541 | 13 | 5 | 7 | 2.9 | COc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1021/jm1005989 | ||
| 155533625 | 171311 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4469364 | 171311 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 366 | 7 | 4 | 4 | 3.3 | CC(C)(CCc1ccccc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 155564766 | 174916 | 0 | None | 181 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4577508 | 174916 | 0 | None | 181 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| 11489574 | 16550 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 539 | 14 | 5 | 6 | 3.3 | C[C@H](Cc1cccc(CC(=O)NCCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243222 | 16550 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 539 | 14 | 5 | 6 | 3.3 | C[C@H](Cc1cccc(CC(=O)NCCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 155536813 | 171640 | 0 | None | 263 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4473790 | 171640 | 0 | None | 263 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 164624092 | 187996 | 0 | None | 794 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 442 | 10 | 4 | 7 | 2.9 | COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4865514 | 187996 | 0 | None | 794 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 442 | 10 | 4 | 7 | 2.9 | COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028807 | 187996 | 0 | None | 794 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 442 | 10 | 4 | 7 | 2.9 | COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2019.115178 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2019.115178 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2019.115178 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2019.115178 | ||
| 11699773 | 16537 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 569 | 12 | 6 | 7 | 3.6 | Cc1cc(O)cc(C)c1CNC(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243101 | 16537 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 569 | 12 | 6 | 7 | 3.6 | Cc1cc(O)cc(C)c1CNC(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1021/jm1005989 | ||
| 164626310 | 188010 | 0 | None | 346 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4874945 | 188010 | 0 | None | 346 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028930 | 188010 | 0 | None | 346 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 356 | 7 | 4 | 4 | 2.6 | O=c1ccc2c(C(O)CNCCCc3ccc(F)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2021.113697 | ||
| 11398811 | 16556 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 555 | 14 | 5 | 7 | 3.3 | CCOc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243285 | 16556 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 555 | 14 | 5 | 7 | 3.3 | CCOc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1021/jm1005989 | ||
| 155543358 | 174201 | 0 | None | 102 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccccc3O)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4561253 | 174201 | 0 | None | 102 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccccc3O)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 156015401 | 177696 | 0 | None | 251 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1cccc(CCC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4645694 | 177696 | 0 | None | 251 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1cccc(CCC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650809 | 177696 | 0 | None | 251 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1cccc(CCC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| 156015798 | 177703 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccc(CCC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4649233 | 177703 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccc(CCC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650858 | 177703 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | COc1ccc(CCC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| 44434125 | 145578 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 473 | 10 | 6 | 5 | 3.6 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL391946 | 145578 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 473 | 10 | 6 | 5 | 3.6 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 44237865 | 57923 | 0 | None | - | 1 | Guinea pig | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 500 | 11 | 6 | 5 | 3.9 | O=C(NCCCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682213 | 57923 | 0 | None | - | 1 | Guinea pig | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 500 | 11 | 6 | 5 | 3.9 | O=C(NCCCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 155557083 | 173969 | 0 | None | 724 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4556022 | 173969 | 0 | None | 724 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 354 | 7 | 5 | 5 | 2.2 | O=c1ccc2c(C(O)CNCCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 10389119 | 88326 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 451 | 10 | 6 | 5 | 3.2 | C[C@H](Cc1ccc2[nH]c(C(=O)NCC3CCC3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL236251 | 88326 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 451 | 10 | 6 | 5 | 3.2 | C[C@H](Cc1ccc2[nH]c(C(=O)NCC3CCC3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 155564340 | 174851 | 0 | None | 263 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 493 | 11 | 5 | 5 | 4.9 | CC(CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)CC(C)(C)C | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4576089 | 174851 | 0 | None | 263 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 493 | 11 | 5 | 5 | 4.9 | CC(CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)CC(C)(C)C | 10.1016/j.bmc.2018.10.043 | ||
| 44434127 | 88179 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 509 | 10 | 6 | 5 | 3.8 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3c(F)cccc3F)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL235612 | 88179 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 509 | 10 | 6 | 5 | 3.8 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3c(F)cccc3F)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 3466 | 4078 | 38 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 378 | 8 | 4 | 5 | 2.4 | OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C | 10.1021/jm1005989 | ||
| 37990 | 4078 | 38 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 378 | 8 | 4 | 5 | 2.4 | OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C | 10.1021/jm1005989 | ||
| CHEMBL1243407 | 4078 | 38 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 378 | 8 | 4 | 5 | 2.4 | OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C | 10.1021/jm1005989 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2019.115178 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2019.115178 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2019.115178 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2019.115178 | ||
| 11376125 | 16561 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 539 | 12 | 5 | 6 | 3.5 | Cc1ccc(CNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)cc1C | 10.1021/jm1005989 | ||
| CHEMBL1243317 | 16561 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 539 | 12 | 5 | 6 | 3.5 | Cc1ccc(CNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)cc1C | 10.1021/jm1005989 | ||
| 164614249 | 187910 | 0 | None | 295 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4859591 | 187910 | 0 | None | 295 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028241 | 187910 | 0 | None | 295 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 10324803 | 89165 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 533 | 12 | 6 | 7 | 3.6 | COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL237501 | 89165 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 533 | 12 | 6 | 7 | 3.6 | COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1 | 10.1016/j.bmcl.2007.09.031 | ||
| 10390752 | 145723 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 487 | 10 | 6 | 5 | 4.1 | C[C@H](Cc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL392056 | 145723 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 487 | 10 | 6 | 5 | 4.1 | C[C@H](Cc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 16049087 | 63752 | 0 | None | 125 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807817 | 63752 | 0 | None | 125 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 9892481 | 69890 | 11 | None | -3 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1940832 | 69890 | 11 | None | -3 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| 90645347 | 112021 | 0 | None | 7 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298987 | 112021 | 0 | None | 7 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 9892481 | 69890 | 11 | None | -3 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1940832 | 69890 | 11 | None | -3 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 9892481 | 69890 | 11 | None | -3 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940832 | 69890 | 11 | None | -3 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 11420492 | 154661 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 492 | 10 | 5 | 5 | 3.8 | C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm1005989 | ||
| CHEMBL402501 | 154661 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 492 | 10 | 5 | 5 | 3.8 | C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm1005989 | ||
| 155564079 | 174838 | 0 | None | 97 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 442 | 8 | 4 | 4 | 4.9 | CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4575759 | 174838 | 0 | None | 97 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 442 | 8 | 4 | 4 | 4.9 | CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 11456127 | 16567 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 593 | 12 | 5 | 6 | 4.6 | CC(C)(Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243347 | 16567 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 593 | 12 | 5 | 6 | 4.6 | CC(C)(Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 44237667 | 57920 | 0 | None | - | 1 | Guinea pig | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 458 | 8 | 6 | 5 | 3.7 | O=C(Nc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682210 | 57920 | 0 | None | - | 1 | Guinea pig | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 458 | 8 | 6 | 5 | 3.7 | O=C(Nc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.09.031 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.09.031 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.09.031 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.09.031 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.04.081 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.04.081 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.04.081 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.04.081 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2007.04.081 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm1005989 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm1005989 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm1005989 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm1005989 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm1005989 | ||
| 45269924 | 193777 | 0 | None | - | 1 | Guinea pig | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 283 | 6 | 5 | 6 | -0.1 | CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1 | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL552398 | 193777 | 0 | None | - | 1 | Guinea pig | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 283 | 6 | 5 | 6 | -0.1 | CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1 | 10.1016/j.ejmech.2008.12.016 | ||
| 164615474 | 187924 | 0 | None | 61 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4847767 | 187924 | 0 | None | 61 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028315 | 187924 | 0 | None | 61 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 386 | 7 | 4 | 4 | 3.5 | CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2021.113697 | ||
| 155548071 | 173177 | 0 | None | 131 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(O)CNCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4536813 | 173177 | 0 | None | 131 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(O)CNCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 155567283 | 175397 | 0 | None | 588 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4588479 | 175397 | 0 | None | 588 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 368 | 8 | 4 | 5 | 2.5 | COc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
| 155548668 | 173211 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 478 | 8 | 4 | 4 | 5.1 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4537644 | 173211 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 478 | 8 | 4 | 4 | 5.1 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2018.10.043 | ||
| 16049088 | 63753 | 0 | None | 100 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807818 | 63753 | 0 | None | 100 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 448 | 13 | 4 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 16049028 | 63754 | 0 | None | 50 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807819 | 63754 | 0 | None | 50 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 462 | 14 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 11592062 | 111965 | 0 | None | 25 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298325 | 111965 | 0 | None | 25 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| 11169365 | 112020 | 0 | None | 22 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298986 | 112020 | 0 | None | 22 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 155513474 | 169173 | 0 | None | 83 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 478 | 8 | 4 | 4 | 5.1 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4438531 | 169173 | 0 | None | 83 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 478 | 8 | 4 | 4 | 5.1 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 164622775 | 187978 | 0 | None | 120226 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 428 | 10 | 4 | 7 | 2.5 | COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4867311 | 187978 | 0 | None | 120226 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 428 | 10 | 4 | 7 | 2.5 | COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028718 | 187978 | 0 | None | 120226 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 428 | 10 | 4 | 7 | 2.5 | COc1cc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC | 10.1016/j.ejmech.2021.113697 | ||
| 11504295 | 2878 | 40 | None | 1047 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| 4814 | 2878 | 40 | None | 1047 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| 7543 | 2878 | 40 | None | 1047 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL605846 | 2878 | 40 | None | 1047 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| DB09080 | 2878 | 40 | None | 1047 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 10.1016/j.ejmech.2021.113697 | ||
| 44237615 | 57922 | 0 | None | - | 1 | Guinea pig | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 486 | 10 | 6 | 5 | 3.5 | O=C(NCCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682212 | 57922 | 0 | None | - | 1 | Guinea pig | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 486 | 10 | 6 | 5 | 3.5 | O=C(NCCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 11707090 | 16533 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 609 | 12 | 6 | 7 | 4.3 | CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)c(O)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243068 | 16533 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 609 | 12 | 6 | 7 | 4.3 | CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)c(O)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 164623583 | 187991 | 0 | None | 316 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL4873280 | 187991 | 0 | None | 316 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL5028767 | 187991 | 0 | None | 316 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 352 | 7 | 4 | 4 | 2.8 | Cc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2021.113697 | ||
| 11247541 | 85537 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 434 | 11 | 5 | 5 | 2.6 | O=C(Cc1cccc(CCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NCc1ccccc1 | 10.1016/j.bmcl.2007.04.081 | ||
| CHEMBL230203 | 85537 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 434 | 11 | 5 | 5 | 2.6 | O=C(Cc1cccc(CCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NCc1ccccc1 | 10.1016/j.bmcl.2007.04.081 | ||
| 44425580 | 85584 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 448 | 11 | 5 | 5 | 3.0 | C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.04.081 | ||
| CHEMBL230487 | 85584 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 448 | 11 | 5 | 5 | 3.0 | C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.04.081 | ||
| 57334265 | 70514 | 0 | None | - | 1 | Guinea pig | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 538 | 13 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNC[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| CHEMBL1951067 | 70514 | 0 | None | - | 1 | Guinea pig | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 538 | 13 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNC[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| 12065 | 621 | 21 | None | 6 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 10.1016/j.bmcl.2009.10.013 | ||
| 45483813 | 621 | 21 | None | 6 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL579394 | 621 | 21 | None | 6 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 10.1016/j.bmcl.2009.10.013 | ||
| 13345218 | 195545 | 0 | None | 8 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 372 | 6 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL568272 | 195545 | 0 | None | 8 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 372 | 6 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 16049024 | 63755 | 0 | None | 79 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 498 | 13 | 4 | 7 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807820 | 63755 | 0 | None | 79 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 498 | 13 | 4 | 7 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 118737358 | 118560 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 689 | 13 | 6 | 8 | 5.8 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1021/jm501915g | ||
| CHEMBL3426706 | 118560 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 689 | 13 | 6 | 8 | 5.8 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1021/jm501915g | ||
| 10239722 | 111966 | 0 | None | 11 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298326 | 111966 | 0 | None | 11 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 66796015 | 111968 | 0 | None | 35 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298328 | 111968 | 0 | None | 35 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 10180590 | 69888 | 0 | None | 707 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940830 | 69888 | 0 | None | 707 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 105 | 3405 | 84 | None | -8 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| 2083 | 3405 | 84 | None | -8 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| 558 | 3405 | 84 | None | -8 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL714 | 3405 | 84 | None | -8 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| DB01001 | 3405 | 84 | None | -8 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.1c02006 | ||
| 10392857 | 88231 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 552 | 11 | 7 | 7 | 2.2 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL235818 | 88231 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 552 | 11 | 7 | 7 | 2.2 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 3083544 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2012.01.013 | ||
| 4943 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2012.01.013 | ||
| 7479 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2012.01.013 | ||
| CHEMBL1363 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2012.01.013 | ||
| DB01274 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2012.01.013 | ||
| 16049026 | 63756 | 0 | None | 25 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 432 | 13 | 4 | 7 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807821 | 63756 | 0 | None | 25 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 432 | 13 | 4 | 7 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 16049029 | 63757 | 0 | None | 25 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 482 | 13 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807822 | 63757 | 0 | None | 25 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 482 | 13 | 4 | 7 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 10461973 | 118551 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 655 | 15 | 6 | 8 | 4.9 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3426697 | 118551 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 655 | 15 | 6 | 8 | 4.9 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 9871386 | 111779 | 4 | None | 8 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3290999 | 111779 | 4 | None | 8 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 90645344 | 111964 | 0 | None | 7 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298324 | 111964 | 0 | None | 7 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| 56943545 | 111970 | 0 | None | 28 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298330 | 111970 | 0 | None | 28 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 11180293 | 112016 | 0 | None | 22 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298897 | 112016 | 0 | None | 22 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 46832232 | 14100 | 0 | None | 39 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1085837 | 14100 | 0 | None | 39 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1198923 | 14100 | 0 | None | 39 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
| 10217757 | 111778 | 0 | None | 10 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290998 | 111778 | 0 | None | 10 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 9871386 | 111779 | 4 | None | 8 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290999 | 111779 | 4 | None | 8 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 57398384 | 69891 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 459 | 10 | 6 | 6 | 3.2 | O=c1ccc2c([C@@H](O)CNCCc3ccc(NC[C@H](O)c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940833 | 69891 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 459 | 10 | 6 | 6 | 3.2 | O=c1ccc2c([C@@H](O)CNCCc3ccc(NC[C@H](O)c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.11.072 | ||
| 156015656 | 177768 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 378 | 7 | 4 | 5 | 2.3 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2cc(F)cc(F)c2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4639822 | 177768 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 378 | 7 | 4 | 5 | 2.3 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2cc(F)cc(F)c2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651230 | 177768 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 378 | 7 | 4 | 5 | 2.3 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2cc(F)cc(F)c2)N1 | 10.1016/j.bmc.2019.115178 | ||
| 53323515 | 57924 | 0 | None | - | 1 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 515 | 10 | 7 | 6 | 2.5 | NC(=O)c1cccc(CNC(=O)Nc2cccc(CCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682214 | 57924 | 0 | None | - | 1 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 515 | 10 | 7 | 6 | 2.5 | NC(=O)c1cccc(CNC(=O)Nc2cccc(CCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 46938907 | 16530 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 609 | 12 | 6 | 7 | 4.3 | CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243035 | 16530 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 609 | 12 | 6 | 7 | 4.3 | CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 155524038 | 170324 | 0 | None | 120 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 414 | 8 | 4 | 4 | 4.2 | O=c1ccc2c(C(O)CNCCCc3ccc(-c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4454489 | 170324 | 0 | None | 120 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 414 | 8 | 4 | 4 | 4.2 | O=c1ccc2c(C(O)CNCCCc3ccc(-c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.ejmech.2021.113697 | ||
| 156020412 | 177774 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 446 | 8 | 4 | 5 | 4.3 | CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4648525 | 177774 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 446 | 8 | 4 | 5 | 4.3 | CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651243 | 177774 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 446 | 8 | 4 | 5 | 4.3 | CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 155550964 | 173378 | 0 | None | 575 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 352 | 8 | 4 | 4 | 2.9 | O=c1ccc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4541263 | 173378 | 0 | None | 575 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 352 | 8 | 4 | 4 | 2.9 | O=c1ccc2c(C(O)CNCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| 10394806 | 118552 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 681 | 12 | 6 | 8 | 5.3 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)N[C@H]1CC[C@H](CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1021/jm501915g | ||
| CHEMBL3426698 | 118552 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 681 | 12 | 6 | 8 | 5.3 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)N[C@H]1CC[C@H](CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1021/jm501915g | ||
| 118737354 | 118555 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 703 | 12 | 6 | 8 | 5.8 | Cc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3426701 | 118555 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 703 | 12 | 6 | 8 | 5.8 | Cc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 56943518 | 111969 | 0 | None | 25 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298329 | 111969 | 0 | None | 25 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943546 | 111986 | 0 | None | 25 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298691 | 111986 | 0 | None | 25 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24901144 | 69986 | 0 | None | -1 | 5 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944691 | 69986 | 0 | None | -1 | 5 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 10288976 | 66247 | 0 | None | 10 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835862 | 66247 | 0 | None | 10 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852543 | 66247 | 0 | None | 10 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 9849126 | 12333 | 0 | None | -3 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1185969 | 12333 | 0 | None | -3 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL443435 | 12333 | 0 | None | -3 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| 9891927 | 183615 | 6 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL446840 | 183615 | 6 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483200 | 183615 | 6 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483201 | 183615 | 6 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 9891927 | 183615 | 6 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL446840 | 183615 | 6 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL483200 | 183615 | 6 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL483201 | 183615 | 6 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 155551133 | 173424 | 0 | None | 446 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 340 | 7 | 4 | 5 | 1.9 | O=c1ccc2c(C(O)CNCCOc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4542430 | 173424 | 0 | None | 446 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 340 | 7 | 4 | 5 | 1.9 | O=c1ccc2c(C(O)CNCCOc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 44434128 | 148607 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 489 | 10 | 7 | 6 | 3.3 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccc(O)cc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL394339 | 148607 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 489 | 10 | 7 | 6 | 3.3 | C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccc(O)cc3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 11534330 | 16527 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 575 | 12 | 6 | 7 | 3.6 | CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1243000 | 16527 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 575 | 12 | 6 | 7 | 3.6 | CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 156020206 | 177767 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2cccc(O)c2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4648663 | 177767 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2cccc(O)c2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651226 | 177767 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2cccc(O)c2)N1 | 10.1016/j.bmc.2019.115178 | ||
| 156015463 | 177776 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 482 | 8 | 4 | 5 | 4.6 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4640925 | 177776 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 482 | 8 | 4 | 5 | 4.6 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651254 | 177776 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 482 | 8 | 4 | 5 | 4.6 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| 56658246 | 64166 | 0 | None | 3 | 4 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814277 | 64166 | 0 | None | 3 | 4 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814278 | 64166 | 0 | None | 3 | 4 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 24901413 | 70013 | 0 | None | 3 | 4 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945032 | 70013 | 0 | None | 3 | 4 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| 15981386 | 63219 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 459 | 12 | 4 | 7 | 2.0 | CN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1800472 | 63219 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 459 | 12 | 4 | 7 | 2.0 | CN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| 56663238 | 63771 | 0 | None | 251 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807872 | 63771 | 0 | None | 251 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 11857427 | 118547 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 689 | 12 | 6 | 8 | 6.1 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 10.1021/jm501915g | ||
| CHEMBL3426693 | 118547 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 689 | 12 | 6 | 8 | 6.1 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 10.1021/jm501915g | ||
| 118737350 | 118548 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 689 | 12 | 6 | 8 | 6.1 | Cc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3426694 | 118548 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 689 | 12 | 6 | 8 | 6.1 | Cc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 16738927 | 70015 | 0 | None | 31 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945034 | 70015 | 0 | None | 31 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 42625823 | 12570 | 0 | None | 251 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187371 | 12570 | 0 | None | 251 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL500782 | 12570 | 0 | None | 251 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 44237612 | 57921 | 0 | None | 4466 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 472 | 9 | 6 | 5 | 3.4 | O=C(NCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682211 | 57921 | 0 | None | 4466 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 472 | 9 | 6 | 5 | 3.4 | O=C(NCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 44237613 | 57925 | 0 | None | 2754 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 502 | 10 | 6 | 6 | 3.4 | COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682215 | 57925 | 0 | None | 2754 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 502 | 10 | 6 | 6 | 3.4 | COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 44237614 | 57926 | 0 | None | 31622 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 490 | 9 | 6 | 5 | 3.6 | O=C(NCc1ccc(F)cc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682216 | 57926 | 0 | None | 31622 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 490 | 9 | 6 | 5 | 3.6 | O=C(NCc1ccc(F)cc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 44237669 | 57927 | 0 | None | 7943 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 540 | 9 | 6 | 5 | 4.7 | O=C(NCc1c(Cl)cccc1Cl)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682217 | 57927 | 0 | None | 7943 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 540 | 9 | 6 | 5 | 4.7 | O=C(NCc1c(Cl)cccc1Cl)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 44237666 | 57928 | 0 | None | 44668 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 548 | 10 | 6 | 5 | 5.0 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682218 | 57928 | 0 | None | 44668 | 2 | Guinea pig | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 548 | 10 | 6 | 5 | 5.0 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
| 45483810 | 195468 | 0 | None | 3 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL567863 | 195468 | 0 | None | 3 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| 11577915 | 16431 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 591 | 12 | 6 | 7 | 4.1 | CC(C)(Cc1cccc(CC(=O)NCc2ccc3cc(O)ccc3c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1240965 | 16431 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 591 | 12 | 6 | 7 | 4.1 | CC(C)(Cc1cccc(CC(=O)NCc2ccc3cc(O)ccc3c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2021.113697 | ||
| 156014685 | 177771 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccccc2O)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4636111 | 177771 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccccc2O)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651237 | 177771 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccccc2O)N1 | 10.1016/j.bmc.2019.115178 | ||
| 155536173 | 171596 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 442 | 8 | 4 | 4 | 4.9 | CC(C)(CC(c1ccccc1)c1ccccc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4473349 | 171596 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 442 | 8 | 4 | 4 | 4.9 | CC(C)(CC(c1ccccc1)c1ccccc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmc.2018.10.043 | ||
| 155527926 | 170687 | 0 | None | 8709 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 451 | 11 | 5 | 5 | 3.9 | CC(C)CCC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4460095 | 170687 | 0 | None | 8709 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 451 | 11 | 5 | 5 | 3.9 | CC(C)CCC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| 11714238 | 16432 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 617 | 13 | 6 | 7 | 4.6 | CC(C)(Cc1cccc(CC(=O)NCc2ccc(-c3ccc(O)cc3)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1240966 | 16432 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 617 | 13 | 6 | 7 | 4.6 | CC(C)(Cc1cccc(CC(=O)NCc2ccc(-c3ccc(O)cc3)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 11647002 | 15462 | 0 | None | 8 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1221681 | 15462 | 0 | None | 8 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 164612026 | 184787 | 0 | None | 776 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 237 | 4 | 3 | 4 | 1.3 | CC(C)NC(CO)c1cc(F)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4860455 | 184787 | 0 | None | 776 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 237 | 4 | 3 | 4 | 1.3 | CC(C)NC(CO)c1cc(F)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.0c01195 | ||
| 56672271 | 66208 | 0 | None | -1 | 4 | Guinea pig | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835859 | 66208 | 0 | None | -1 | 4 | Guinea pig | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852407 | 66208 | 0 | None | -1 | 4 | Guinea pig | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 24901144 | 69986 | 0 | None | 1 | 5 | Guinea pig | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944691 | 69986 | 0 | None | 1 | 5 | Guinea pig | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57393349 | 70189 | 0 | None | 3 | 2 | Guinea pig | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 523 | 11 | 4 | 5 | 6.2 | C[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947151 | 70189 | 0 | None | 3 | 2 | Guinea pig | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 523 | 11 | 4 | 5 | 6.2 | C[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 56672116 | 66033 | 0 | None | 316 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814276 | 66033 | 0 | None | 316 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851624 | 66033 | 0 | None | 316 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| 10372836 | 101925 | 34 | None | 6 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 739 | 13 | 6 | 9 | 6.4 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3039518 | 101925 | 34 | None | 6 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 739 | 13 | 6 | 9 | 6.4 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 10372344 | 118541 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 675 | 12 | 6 | 8 | 5.8 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm501915g | ||
| CHEMBL3426687 | 118541 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 675 | 12 | 6 | 8 | 5.8 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm501915g | ||
| 10327462 | 118542 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 709 | 12 | 6 | 8 | 6.4 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl | 10.1021/jm501915g | ||
| CHEMBL3426688 | 118542 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 709 | 12 | 6 | 8 | 6.4 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl | 10.1021/jm501915g | ||
| 118737348 | 118545 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 705 | 13 | 6 | 9 | 5.8 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3426691 | 118545 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 705 | 13 | 6 | 9 | 5.8 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 118737351 | 118549 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 719 | 13 | 6 | 9 | 6.1 | COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1C | 10.1021/jm501915g | ||
| CHEMBL3426695 | 118549 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 719 | 13 | 6 | 9 | 6.1 | COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1C | 10.1021/jm501915g | ||
| 118737355 | 118556 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 689 | 12 | 5 | 8 | 5.5 | CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm501915g | ||
| CHEMBL3426702 | 118556 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 689 | 12 | 5 | 8 | 5.5 | CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm501915g | ||
| 56943515 | 111952 | 0 | None | 7 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298213 | 111952 | 0 | None | 7 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 10173878 | 111967 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 459 | 10 | 5 | 6 | 4.2 | CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298327 | 111967 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 459 | 10 | 5 | 6 | 4.2 | CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24901210 | 69985 | 0 | None | 125 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944690 | 69985 | 0 | None | 125 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901347 | 69990 | 0 | None | 17 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944695 | 69990 | 0 | None | 17 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901413 | 70013 | 0 | None | -3 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945032 | 70013 | 0 | None | -3 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | ||
| 156016062 | 177750 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 356 | 8 | 4 | 5 | 2.4 | O=C1COc2c(cc(O)cc2C(O)CNCCCCc2ccccc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4643148 | 177750 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 356 | 8 | 4 | 5 | 2.4 | O=C1COc2c(cc(O)cc2C(O)CNCCCCc2ccccc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651124 | 177750 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 356 | 8 | 4 | 5 | 2.4 | O=C1COc2c(cc(O)cc2C(O)CNCCCCc2ccccc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 56672271 | 66208 | 0 | None | 1 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835859 | 66208 | 0 | None | 1 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852407 | 66208 | 0 | None | 1 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| 46832509 | 14097 | 0 | None | 50 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1085399 | 14097 | 0 | None | 50 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198908 | 14097 | 0 | None | 50 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 10006800 | 88283 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 517 | 12 | 6 | 6 | 3.6 | COc1cccc(CCNC(=O)c2cc3cc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(CO)c4)ccc3[nH]2)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL236042 | 88283 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 517 | 12 | 6 | 6 | 3.6 | COc1cccc(CCNC(=O)c2cc3cc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(CO)c4)ccc3[nH]2)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 10256921 | 144762 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 547 | 13 | 6 | 7 | 4.0 | CC[C@H](Cc1ccc2[nH]c(C(=O)NCc3c(OC)cccc3OC)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL391308 | 144762 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 547 | 13 | 6 | 7 | 4.0 | CC[C@H](Cc1ccc2[nH]c(C(=O)NCc3c(OC)cccc3OC)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2007.09.031 | ||
| 11505444 | 16433 | 13 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 617 | 13 | 6 | 7 | 4.6 | CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| CHEMBL1240967 | 16433 | 13 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 617 | 13 | 6 | 7 | 4.6 | CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm1005989 | ||
| 11625619 | 77266 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088201 | 77266 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 16735257 | 85304 | 0 | None | 812 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL228992 | 85304 | 0 | None | 812 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| 688468 | 141800 | 7 | None | 346 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL388570 | 141800 | 7 | None | 346 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 16735257 | 85304 | 0 | None | 812 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228992 | 85304 | 0 | None | 812 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 155543518 | 174426 | 0 | None | 794 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 457 | 9 | 5 | 5 | 3.7 | O=C(Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)c1ccccc1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4566727 | 174426 | 0 | None | 794 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 457 | 9 | 5 | 5 | 3.7 | O=C(Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)c1ccccc1 | 10.1016/j.bmc.2018.10.043 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3083544 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| 4943 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| 7479 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1363 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| DB01274 | 462 | 46 | None | -1 | 4 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| 24900685 | 70014 | 0 | None | 3 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945033 | 70014 | 0 | None | 3 | 5 | Guinea pig | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 3083544 | 462 | 46 | None | 1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| 4943 | 462 | 46 | None | 1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| 7479 | 462 | 46 | None | 1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL1363 | 462 | 46 | None | 1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| DB01274 | 462 | 46 | None | 1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| 118737352 | 118550 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 719 | 13 | 6 | 9 | 6.1 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3426696 | 118550 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 719 | 13 | 6 | 9 | 6.1 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2018.10.043 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 56943485 | 112011 | 0 | None | 12 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298831 | 112011 | 0 | None | 12 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 11592062 | 111965 | 0 | None | 25 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298325 | 111965 | 0 | None | 25 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24901348 | 69984 | 0 | None | 70 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944689 | 69984 | 0 | None | 70 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901211 | 69988 | 0 | None | 158 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944693 | 69988 | 0 | None | 158 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901351 | 69989 | 0 | None | 10 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944694 | 69989 | 0 | None | 10 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901209 | 70012 | 0 | None | 177 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945031 | 70012 | 0 | None | 177 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901143 | 70022 | 0 | None | 12 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945041 | 70022 | 0 | None | 12 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 156015043 | 177689 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 342 | 7 | 4 | 5 | 2.0 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccccc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4648975 | 177689 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 342 | 7 | 4 | 5 | 2.0 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccccc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650763 | 177689 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 342 | 7 | 4 | 5 | 2.0 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccccc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| 56668796 | 66269 | 0 | None | 31 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835860 | 66269 | 0 | None | 31 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852632 | 66269 | 0 | None | 31 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 9932018 | 69873 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940815 | 69873 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 57403562 | 69875 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 450 | 11 | 6 | 6 | 3.7 | CC(C)(Cc1ccc(NCC(O)c2ccccc2)cc1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940817 | 69875 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 450 | 11 | 6 | 6 | 3.7 | CC(C)(Cc1ccc(NCC(O)c2ccccc2)cc1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2011.11.072 | ||
| 10202462 | 69889 | 0 | None | 223 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940831 | 69889 | 0 | None | 223 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| 9986442 | 58229 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 626 | 15 | 5 | 7 | 6.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683933 | 58229 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 626 | 15 | 5 | 7 | 6.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| 9874175 | 58230 | 1 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683934 | 58230 | 1 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 46938906 | 16525 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 603 | 13 | 5 | 7 | 4.4 | CCN(Cc1ccc(O)cc1Cl)C(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1021/jm1005989 | ||
| CHEMBL1242969 | 16525 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 603 | 13 | 5 | 7 | 4.4 | CCN(Cc1ccc(O)cc1Cl)C(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1021/jm1005989 | ||
| 156019922 | 177769 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccccc1CCCNCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4645720 | 177769 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccccc1CCCNCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651233 | 177769 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccccc1CCCNCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 16049309 | 63769 | 0 | None | 100 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807870 | 63769 | 0 | None | 100 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 9874175 | 58230 | 1 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1021/jm501915g | ||
| CHEMBL1683934 | 58230 | 1 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1021/jm501915g | ||
| 118737349 | 118546 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 739 | 13 | 6 | 9 | 6.4 | COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1Cl | 10.1021/jm501915g | ||
| CHEMBL3426692 | 118546 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 739 | 13 | 6 | 9 | 6.4 | COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1Cl | 10.1021/jm501915g | ||
| 9871386 | 111779 | 4 | None | 8 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3290999 | 111779 | 4 | None | 8 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24901349 | 69987 | 0 | None | 56 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944692 | 69987 | 0 | None | 56 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57398562 | 70017 | 0 | None | 112 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945036 | 70017 | 0 | None | 112 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900942 | 70046 | 0 | None | 31 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945299 | 70046 | 0 | None | 31 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 10184665 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | ||
| 4799 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | ||
| 7353 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | ||
| CHEMBL1198857 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | ||
| DB09082 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | ||
| 10184665 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| 4799 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| 7353 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1198857 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| DB09082 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| 9871386 | 111779 | 4 | None | 8 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290999 | 111779 | 4 | None | 8 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 10184665 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| 4799 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| 7353 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| CHEMBL1198857 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| DB09082 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| 46832798 | 14088 | 0 | None | 19 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1084648 | 14088 | 0 | None | 19 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1198879 | 14088 | 0 | None | 19 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
| 10225563 | 14094 | 0 | None | 12 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1084891 | 14094 | 0 | None | 12 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198889 | 14094 | 0 | None | 12 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 22712045 | 69874 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 423 | 11 | 5 | 6 | 2.9 | OCc1cc(C(O)CNCCc2ccc(OCC(O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940816 | 69874 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 423 | 11 | 5 | 6 | 2.9 | OCc1cc(C(O)CNCCc2ccc(OCC(O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 12093446 | 69892 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 459 | 10 | 5 | 5 | 4.6 | Nc1c(Cl)cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)cc1Cl | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940834 | 69892 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 459 | 10 | 5 | 5 | 4.6 | Nc1c(Cl)cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)cc1Cl | 10.1016/j.bmcl.2011.11.072 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.10.013 | ||
| 45483816 | 195460 | 0 | None | 12 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL567833 | 195460 | 0 | None | 12 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| 45483864 | 197231 | 0 | None | 9 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL584498 | 197231 | 0 | None | 9 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 53379897 | 63315 | 0 | None | 151 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800961 | 63315 | 0 | None | 151 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.06.104 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2009.12.087 | ||
| 156009486 | 177688 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1cccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4632876 | 177688 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1cccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650738 | 177688 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1cccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| 105 | 3405 | 84 | None | 3 | 3 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| 2083 | 3405 | 84 | None | 3 | 3 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| 558 | 3405 | 84 | None | 3 | 3 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL714 | 3405 | 84 | None | 3 | 3 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| DB01001 | 3405 | 84 | None | 3 | 3 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| 45483852 | 195082 | 0 | None | 14 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 392 | 6 | 4 | 5 | 2.6 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL565267 | 195082 | 0 | None | 14 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 392 | 6 | 4 | 5 | 2.6 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 45484568 | 196673 | 0 | None | 10 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 541 | 13 | 6 | 8 | 1.8 | CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL576428 | 196673 | 0 | None | 10 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 541 | 13 | 6 | 8 | 1.8 | CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.06.104 | ||
| 57401201 | 70513 | 0 | None | - | 1 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 538 | 13 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNCC(O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| CHEMBL1951066 | 70513 | 0 | None | - | 1 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 538 | 13 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNCC(O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| 24900689 | 70020 | 0 | None | 3 | 5 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945039 | 70020 | 0 | None | 3 | 5 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57393350 | 70190 | 0 | None | 63 | 2 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 509 | 11 | 4 | 5 | 5.6 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947152 | 70190 | 0 | None | 63 | 2 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 509 | 11 | 4 | 5 | 5.6 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 9892481 | 69890 | 11 | None | -3 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940832 | 69890 | 11 | None | -3 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| 19082200 | 109735 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 443 | 12 | 3 | 7 | 2.9 | CN(CCNCCc1ccc(O)c2nc(O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL323776 | 109735 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 443 | 12 | 3 | 7 | 2.9 | CN(CCNCCc1ccc(O)c2nc(O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| 16049377 | 63767 | 0 | None | 112 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807832 | 63767 | 0 | None | 112 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 465 | 13 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 10484922 | 118543 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 705 | 13 | 6 | 9 | 5.8 | COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 10.1021/jm501915g | ||
| CHEMBL3426689 | 118543 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 705 | 13 | 6 | 9 | 5.8 | COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 10.1021/jm501915g | ||
| 10327461 | 118544 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 709 | 12 | 6 | 8 | 6.4 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c(Cl)c1 | 10.1021/jm501915g | ||
| CHEMBL3426690 | 118544 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 709 | 12 | 6 | 8 | 6.4 | O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c(Cl)c1 | 10.1021/jm501915g | ||
| 10439505 | 118553 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 675 | 12 | 6 | 8 | 5.2 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)CC1 | 10.1021/jm501915g | ||
| CHEMBL3426699 | 118553 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 675 | 12 | 6 | 8 | 5.2 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)CC1 | 10.1021/jm501915g | ||
| 155515718 | 169396 | 0 | None | 2884 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4441752 | 169396 | 0 | None | 2884 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.bmc.2018.10.043 | ||
| 155551006 | 173373 | 0 | None | 44 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4541169 | 173373 | 0 | None | 44 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)C(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| 90645345 | 111987 | 0 | None | 11 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298692 | 111987 | 0 | None | 11 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 90645346 | 112003 | 0 | None | 2 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298762 | 112003 | 0 | None | 2 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 9892481 | 69890 | 11 | None | -3 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1940832 | 69890 | 11 | None | -3 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| 10239722 | 111966 | 0 | None | 11 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298326 | 111966 | 0 | None | 11 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 66796015 | 111968 | 0 | None | 35 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298328 | 111968 | 0 | None | 35 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24900685 | 70014 | 0 | None | -3 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945033 | 70014 | 0 | None | -3 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900426 | 70018 | 0 | None | 31 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945037 | 70018 | 0 | None | 31 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901141 | 70195 | 0 | None | 39 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947157 | 70195 | 0 | None | 39 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 3083544 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm401532g | ||
| 4943 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm401532g | ||
| 7479 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm401532g | ||
| CHEMBL1363 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm401532g | ||
| DB01274 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm401532g | ||
| 10482960 | 105908 | 0 | None | 316 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | ||
| CHEMBL3126383 | 105908 | 0 | None | 316 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | ||
| CHEMBL3139365 | 105908 | 0 | None | 316 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | ||
| 3083544 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| 4943 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| 7479 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1363 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| DB01274 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.08.043 | ||
| 56658405 | 66255 | 0 | None | 25 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835856 | 66255 | 0 | None | 25 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852565 | 66255 | 0 | None | 25 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| 56658407 | 66305 | 0 | None | 15 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835857 | 66305 | 0 | None | 15 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852796 | 66305 | 0 | None | 15 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 42625513 | 12452 | 0 | None | 3 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| CHEMBL1186722 | 12452 | 0 | None | 3 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| CHEMBL475389 | 12452 | 0 | None | 3 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| 42625517 | 12612 | 0 | None | 19 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187654 | 12612 | 0 | None | 19 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL514032 | 12612 | 0 | None | 19 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 3083544 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm100326d | ||
| 4943 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm100326d | ||
| 7479 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm100326d | ||
| CHEMBL1363 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm100326d | ||
| DB01274 | 462 | 46 | None | 1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/jm100326d | ||
| 10128077 | 111777 | 0 | None | 1 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290997 | 111777 | 0 | None | 1 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 45483843 | 195360 | 0 | None | 9 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL567192 | 195360 | 0 | None | 9 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| 45483868 | 195546 | 0 | None | 6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL568273 | 195546 | 0 | None | 6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 156010782 | 177695 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 446 | 8 | 4 | 5 | 4.3 | CC(C)(CC(c1ccccc1)c1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4632435 | 177695 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 446 | 8 | 4 | 5 | 4.3 | CC(C)(CC(c1ccccc1)c1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650800 | 177695 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 446 | 8 | 4 | 5 | 4.3 | CC(C)(CC(c1ccccc1)c1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 56678847 | 66045 | 0 | None | 99 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814274 | 66045 | 0 | None | 99 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851691 | 66045 | 0 | None | 99 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| 9871096 | 66317 | 0 | None | 1 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814268 | 66317 | 0 | None | 1 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1852860 | 66317 | 0 | None | 1 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 16049234 | 63763 | 0 | None | 177 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807828 | 63763 | 0 | None | 177 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 56673674 | 63766 | 0 | None | 1258 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 513 | 13 | 5 | 8 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCS(=O)(=O)CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807831 | 63766 | 0 | None | 1258 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 513 | 13 | 5 | 8 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCS(=O)(=O)CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 183812 | 204025 | 21 | None | 15 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL82663 | 204025 | 21 | None | 15 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2011.05.097 | ||
| 56943517 | 112012 | 0 | None | 3 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298832 | 112012 | 0 | None | 3 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943518 | 111969 | 0 | None | 25 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298329 | 111969 | 0 | None | 25 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943545 | 111970 | 0 | None | 28 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298330 | 111970 | 0 | None | 28 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943546 | 111986 | 0 | None | 25 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298691 | 111986 | 0 | None | 25 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 90645347 | 112021 | 0 | None | 7 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298987 | 112021 | 0 | None | 7 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24900689 | 70020 | 0 | None | -3 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945039 | 70020 | 0 | None | -3 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900813 | 70023 | 0 | None | 7 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945042 | 70023 | 0 | None | 7 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900812 | 70024 | 0 | None | 25 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945043 | 70024 | 0 | None | 25 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900937 | 70041 | 0 | None | 199 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945294 | 70041 | 0 | None | 199 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900424 | 70194 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 525 | 11 | 5 | 6 | 5.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947156 | 70194 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 525 | 11 | 5 | 6 | 5.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 183812 | 204025 | 21 | None | 15 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL82663 | 204025 | 21 | None | 15 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2011.10.049 | ||
| 56672269 | 66254 | 0 | None | 50 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835858 | 66254 | 0 | None | 50 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852564 | 66254 | 0 | None | 50 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 42625515 | 12621 | 0 | None | 794 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187711 | 12621 | 0 | None | 794 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL516056 | 12621 | 0 | None | 794 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 10077662 | 89807 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 623 | 14 | 5 | 8 | 5.1 | COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL238347 | 89807 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 623 | 14 | 5 | 8 | 5.1 | COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2007.09.031 | ||
| 156015718 | 177681 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1cccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4648695 | 177681 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1cccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650694 | 177681 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1cccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmc.2019.115178 | ||
| 44237670 | 57929 | 0 | None | 8128 | 2 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 534 | 9 | 6 | 5 | 5.4 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682219 | 57929 | 0 | None | 8128 | 2 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 534 | 9 | 6 | 5 | 5.4 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.12.096 | ||
| 45483814 | 195596 | 0 | None | 5 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL568531 | 195596 | 0 | None | 5 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.7b00762 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.7b00762 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.7b00762 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.7b00762 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.7b00762 | ||
| 46232769 | 199156 | 0 | None | 6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL601036 | 199156 | 0 | None | 6 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 44434116 | 166042 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 547 | 12 | 5 | 8 | 3.6 | COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1C | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL428027 | 166042 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 547 | 12 | 5 | 8 | 3.6 | COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1C | 10.1016/j.bmcl.2007.09.031 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.0c01195 | ||
| 156014816 | 177728 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 360 | 7 | 4 | 5 | 2.1 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccc(F)cc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4645932 | 177728 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 360 | 7 | 4 | 5 | 2.1 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccc(F)cc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650992 | 177728 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 360 | 7 | 4 | 5 | 2.1 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccc(F)cc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| 63952 | 8502 | 37 | None | -2 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 368 | 7 | 4 | 5 | 2.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm100068m | ||
| 86306667 | 8502 | 37 | None | -2 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 368 | 7 | 4 | 5 | 2.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm100068m | ||
| CHEMBL1094785 | 8502 | 37 | None | -2 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 368 | 7 | 4 | 5 | 2.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm100068m | ||
| 4183 | 1994 | 62 | None | 1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/acs.jmedchem.0c01195 | ||
| 6918554 | 1994 | 62 | None | 1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/acs.jmedchem.0c01195 | ||
| 7455 | 1994 | 62 | None | 1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL1095777 | 1994 | 62 | None | 1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/acs.jmedchem.0c01195 | ||
| DB05039 | 1994 | 62 | None | 1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/acs.jmedchem.0c01195 | ||
| 9871096 | 66317 | 0 | None | -1 | 4 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814268 | 66317 | 0 | None | -1 | 4 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1852860 | 66317 | 0 | None | -1 | 4 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 56658246 | 64166 | 0 | None | -3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814277 | 64166 | 0 | None | -3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814278 | 64166 | 0 | None | -3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 53357712 | 66074 | 0 | None | 79 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814271 | 66074 | 0 | None | 79 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851848 | 66074 | 0 | None | 79 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| 56678849 | 66293 | 0 | None | 31 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814275 | 66293 | 0 | None | 31 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1852744 | 66293 | 0 | None | 31 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.04.135 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.04.135 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.04.135 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.04.135 | ||
| 16049289 | 63234 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 501 | 15 | 4 | 7 | 3.2 | CCCCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1800660 | 63234 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 501 | 15 | 4 | 7 | 3.2 | CCCCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.05.097 | ||
| 16049090 | 63758 | 0 | None | 316 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 447 | 13 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807823 | 63758 | 0 | None | 316 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 447 | 13 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 56673609 | 63772 | 0 | None | 112 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807873 | 63772 | 0 | None | 112 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 499 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 319 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm501915g | ||
| 321 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm501915g | ||
| 444031 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm501915g | ||
| 784 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm501915g | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm501915g | ||
| DB00496 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm501915g | ||
| 118737356 | 118557 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 753 | 13 | 5 | 9 | 6.5 | COc1cc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3426703 | 118557 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 753 | 13 | 5 | 9 | 6.5 | COc1cc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 118737360 | 118562 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 719 | 14 | 6 | 9 | 5.8 | COc1ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3426708 | 118562 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 719 | 14 | 6 | 9 | 5.8 | COc1ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 90645344 | 111964 | 0 | None | 7 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298324 | 111964 | 0 | None | 7 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.10.049 | ||
| 24900750 | 70036 | 0 | None | 5 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945289 | 70036 | 0 | None | 5 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901285 | 70044 | 0 | None | 25 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945297 | 70044 | 0 | None | 25 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | ||
| 156015629 | 177678 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 482 | 8 | 4 | 5 | 4.6 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4648440 | 177678 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 482 | 8 | 4 | 5 | 4.6 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650679 | 177678 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 482 | 8 | 4 | 5 | 4.6 | CC(C)(CC(c1ccc(F)cc1)c1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmc.2019.115178 | ||
| 10238776 | 66143 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835853 | 66143 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852214 | 66143 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 10217757 | 111778 | 0 | None | 10 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290998 | 111778 | 0 | None | 10 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 42625511 | 12628 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| CHEMBL1187778 | 12628 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| CHEMBL520313 | 12628 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| 10203169 | 14124 | 0 | None | 25 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1086536 | 14124 | 0 | None | 25 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1199300 | 14124 | 0 | None | 25 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
| 319 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| 321 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| 444031 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| 784 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| DB00496 | 1297 | 39 | None | -2 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| 156014807 | 177655 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccc(O)cc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4643561 | 177655 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccc(O)cc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650530 | 177655 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 358 | 7 | 5 | 6 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2ccc(O)cc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| 53316961 | 57952 | 0 | None | - | 1 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 528 | 9 | 6 | 5 | 4.7 | CC(C)(C)c1ccc(CNC(=O)Nc2cccc(CCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682302 | 57952 | 0 | None | - | 1 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 528 | 9 | 6 | 5 | 4.7 | CC(C)(C)c1ccc(CNC(=O)Nc2cccc(CCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | 10.1016/j.bmcl.2010.12.096 | ||
| 45484536 | 195538 | 0 | None | 5 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 527 | 13 | 7 | 8 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL568239 | 195538 | 0 | None | 5 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 527 | 13 | 7 | 8 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 53326837 | 58237 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 722 | 17 | 5 | 10 | 5.3 | C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683942 | 58237 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 722 | 17 | 5 | 10 | 5.3 | C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12 | 10.1016/j.bmcl.2011.01.043 | ||
| 155541614 | 172466 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 437 | 10 | 5 | 5 | 3.5 | CC(C)CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4518961 | 172466 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 437 | 10 | 5 | 5 | 3.5 | CC(C)CC(=O)Nc1cccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmc.2018.10.043 | ||
| 156010796 | 177726 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4632700 | 177726 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650979 | 177726 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 372 | 8 | 4 | 6 | 2.0 | COc1ccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| 11091850 | 46967 | 0 | None | 25 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 465 | 11 | 4 | 4 | 4.6 | Cc1ccc(CNC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL154370 | 46967 | 0 | None | 25 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 465 | 11 | 4 | 4 | 4.6 | Cc1ccc(CNC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 53357711 | 64167 | 0 | None | -1 | 4 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814279 | 64167 | 0 | None | -1 | 4 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814280 | 64167 | 0 | None | -1 | 4 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 319 | 1297 | 39 | None | 2 | 6 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| 321 | 1297 | 39 | None | 2 | 6 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| 444031 | 1297 | 39 | None | 2 | 6 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| 784 | 1297 | 39 | None | 2 | 6 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1346 | 1297 | 39 | None | 2 | 6 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| DB00496 | 1297 | 39 | None | 2 | 6 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2010.12.096 | ||
| 44237766 | 57931 | 0 | None | 10000 | 2 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 550 | 10 | 6 | 6 | 5.5 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682221 | 57931 | 0 | None | 10000 | 2 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 550 | 10 | 6 | 6 | 5.5 | O=C(Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 53357711 | 64167 | 0 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814279 | 64167 | 0 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814280 | 64167 | 0 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 56673241 | 63229 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 457 | 13 | 3 | 6 | 2.9 | CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1800656 | 63229 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 457 | 13 | 3 | 6 | 2.9 | CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.05.097 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.05.097 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.05.097 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.05.097 | ||
| 16049450 | 63762 | 0 | None | 125 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807827 | 63762 | 0 | None | 125 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 11169365 | 112020 | 0 | None | 22 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298986 | 112020 | 0 | None | 22 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 45484585 | 13984 | 0 | None | 3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL1197807 | 13984 | 0 | None | 3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL587197 | 13984 | 0 | None | 3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 45101519 | 196846 | 0 | None | 1 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL577917 | 196846 | 0 | None | 1 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.10.049 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.10.049 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.10.049 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.10.049 | ||
| 24900872 | 70019 | 0 | None | 89 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945038 | 70019 | 0 | None | 89 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57391554 | 70025 | 0 | None | 25 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945044 | 70025 | 0 | None | 25 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901140 | 70191 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 503 | 9 | 4 | 6 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCC(c5ccccc5)CC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947153 | 70191 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 503 | 9 | 4 | 6 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCC(c5ccccc5)CC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 10053159 | 105800 | 0 | None | 398 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | ||
| CHEMBL3124955 | 105800 | 0 | None | 398 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | ||
| CHEMBL3139033 | 105800 | 0 | None | 398 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | ||
| 56665368 | 66126 | 0 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835854 | 66126 | 0 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852119 | 66126 | 0 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 56678973 | 66246 | 0 | None | 2 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835855 | 66246 | 0 | None | 2 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852541 | 66246 | 0 | None | 2 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| 56675663 | 66256 | 0 | None | 25 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835861 | 66256 | 0 | None | 25 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852575 | 66256 | 0 | None | 25 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 42625821 | 12437 | 0 | None | 630 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186678 | 12437 | 0 | None | 630 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL474393 | 12437 | 0 | None | 630 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 42625587 | 12591 | 0 | None | 125 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
| CHEMBL1187520 | 12591 | 0 | None | 125 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
| CHEMBL506518 | 12591 | 0 | None | 125 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
| 9958539 | 102631 | 0 | None | 5 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL307647 | 102631 | 0 | None | 5 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
| 87142783 | 118558 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 719 | 13 | 5 | 9 | 5.8 | COc1cc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3426704 | 118558 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 719 | 13 | 5 | 9 | 5.8 | COc1cc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548101 | 123880 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | C[C@H](Cc1ccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3639442 | 123880 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | C[C@H](Cc1ccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548063 | 124681 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 788 | 16 | 6 | 9 | 6.3 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCN(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645274 | 124681 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 788 | 16 | 6 | 9 | 6.3 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCN(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 59548134 | 124682 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 804 | 17 | 6 | 10 | 6.0 | COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCN(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645275 | 124682 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 804 | 17 | 6 | 10 | 6.0 | COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCN(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 66791483 | 124684 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 16 | 6 | 9 | 6.6 | Cc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645277 | 124684 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 16 | 6 | 9 | 6.6 | Cc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548074 | 124685 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 838 | 17 | 6 | 10 | 6.7 | COc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645278 | 124685 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 838 | 17 | 6 | 10 | 6.7 | COc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548094 | 124687 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 17 | 6 | 9 | 6.4 | CC(Cc1cccc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645280 | 124687 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 17 | 6 | 9 | 6.4 | CC(Cc1cccc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548099 | 124688 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 816 | 18 | 6 | 9 | 5.8 | CC(Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645281 | 124688 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 816 | 18 | 6 | 9 | 5.8 | CC(Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 68057677 | 124689 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 816 | 18 | 6 | 9 | 5.8 | C[C@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645282 | 124689 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 816 | 18 | 6 | 9 | 5.8 | C[C@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548122 | 124690 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 17 | 6 | 9 | 6.7 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCCN(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645283 | 124690 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 17 | 6 | 9 | 6.7 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCCN(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 59548079 | 124691 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 818 | 18 | 6 | 10 | 6.4 | COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCCN(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645284 | 124691 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 818 | 18 | 6 | 10 | 6.4 | COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCCN(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 59548056 | 124692 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 818 | 18 | 6 | 10 | 6.4 | COc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645285 | 124692 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 818 | 18 | 6 | 10 | 6.4 | COc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548067 | 124693 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 852 | 18 | 6 | 10 | 7.1 | COc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645286 | 124693 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 852 | 18 | 6 | 10 | 7.1 | COc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548141 | 124694 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 18 | 6 | 9 | 6.4 | CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645287 | 124694 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 18 | 6 | 9 | 6.4 | CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 59548102 | 124695 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 18 | 6 | 9 | 6.4 | CN(CCCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645288 | 124695 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 802 | 18 | 6 | 9 | 6.4 | CN(CCCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 68057804 | 124696 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 830 | 19 | 6 | 9 | 6.2 | CC(Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645289 | 124696 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 830 | 19 | 6 | 9 | 6.2 | CC(Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548054 | 124697 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 830 | 19 | 6 | 9 | 6.2 | C[C@H](Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645290 | 124697 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 830 | 19 | 6 | 9 | 6.2 | C[C@H](Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548125 | 124698 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 830 | 19 | 6 | 9 | 6.2 | C[C@@H](Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645291 | 124698 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 830 | 19 | 6 | 9 | 6.2 | C[C@@H](Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548051 | 124699 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 822 | 14 | 6 | 9 | 7.4 | Cc1ccc(C(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645292 | 124699 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 822 | 14 | 6 | 9 | 7.4 | Cc1ccc(C(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 59548107 | 124700 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 822 | 14 | 6 | 9 | 7.4 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)c1cccc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 | nan | ||
| CHEMBL3645293 | 124700 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 822 | 14 | 6 | 9 | 7.4 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)c1cccc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 | nan | ||
| 59548124 | 124701 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 14 | 6 | 9 | 7.7 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)c1ccc(C)c(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 | nan | ||
| CHEMBL3645294 | 124701 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 14 | 6 | 9 | 7.7 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)c1ccc(C)c(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 | nan | ||
| 59548081 | 124702 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 838 | 15 | 6 | 10 | 7.1 | COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)c1cccc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 | nan | ||
| CHEMBL3645295 | 124702 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 838 | 15 | 6 | 10 | 7.1 | COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)c1cccc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 | nan | ||
| 59548120 | 124703 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 14 | 6 | 9 | 7.7 | Cc1cc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645296 | 124703 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 14 | 6 | 9 | 7.7 | Cc1cc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548093 | 124705 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 822 | 15 | 6 | 9 | 7.1 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1 | nan | ||
| CHEMBL3645298 | 124705 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 822 | 15 | 6 | 9 | 7.1 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1 | nan | ||
| 59548119 | 124706 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.4 | Cc1ccc(C(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645299 | 124706 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.4 | Cc1ccc(C(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 59548129 | 124709 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | CC(Cc1cccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645301 | 124709 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | CC(Cc1cccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 70843902 | 124710 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 15 | 6 | 9 | 7.8 | Cc1ccc(C(=O)Nc2cccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645302 | 124710 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 15 | 6 | 9 | 7.8 | Cc1ccc(C(=O)Nc2cccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 59548098 | 124711 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | C[C@H](Cc1cccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645303 | 124711 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | C[C@H](Cc1cccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548123 | 124712 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | C[C@@H](Cc1cccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645304 | 124712 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | C[C@@H](Cc1cccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548138 | 124713 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | CC(Cc1ccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645305 | 124713 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | CC(Cc1ccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548095 | 124715 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | C[C@H](Cc1ccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645307 | 124715 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | C[C@H](Cc1ccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548130 | 124716 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | C[C@@H](Cc1ccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645308 | 124716 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.5 | C[C@@H](Cc1ccc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548100 | 124717 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | CC(Cc1cccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645309 | 124717 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | CC(Cc1cccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548136 | 124718 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 16 | 6 | 9 | 7.5 | Cc1ccc(C(=O)NCc2cccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645310 | 124718 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 16 | 6 | 9 | 7.5 | Cc1ccc(C(=O)NCc2cccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 66791606 | 124719 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | CC(Cc1ccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645311 | 124719 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | CC(Cc1ccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 70843738 | 124721 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | C[C@H](Cc1ccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645313 | 124721 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | C[C@H](Cc1ccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 70843742 | 124722 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | C[C@@H](Cc1ccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645314 | 124722 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | C[C@@H](Cc1ccc(CNC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 70843734 | 124724 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | C[C@@H](Cc1cccc(CNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645316 | 124724 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.2 | C[C@@H](Cc1cccc(CNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548091 | 124725 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.4 | CC(Cc1cccc(CC(=O)Nc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645317 | 124725 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.4 | CC(Cc1cccc(CC(=O)Nc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548132 | 124729 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.2 | C[C@H](Cc1cccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645320 | 124729 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.2 | C[C@H](Cc1cccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548118 | 124730 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.2 | C[C@@H](Cc1cccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645321 | 124730 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.2 | C[C@@H](Cc1cccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548139 | 124732 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.2 | C[C@@H](Cc1ccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645323 | 124732 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.2 | C[C@@H](Cc1ccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548061 | 124735 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 886 | 16 | 6 | 10 | 7.6 | COc1cc(NC(=O)Cc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645326 | 124735 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 886 | 16 | 6 | 10 | 7.6 | COc1cc(NC(=O)Cc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548066 | 124736 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 16 | 6 | 9 | 7.0 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1 | nan | ||
| CHEMBL3645327 | 124736 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 16 | 6 | 9 | 7.0 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1 | nan | ||
| 59548076 | 124737 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 16 | 6 | 9 | 7.0 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 | nan | ||
| CHEMBL3645328 | 124737 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 16 | 6 | 9 | 7.0 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 | nan | ||
| 59548128 | 124738 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 17 | 6 | 9 | 6.7 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CC(=O)NCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | nan | ||
| CHEMBL3645329 | 124738 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 17 | 6 | 9 | 6.7 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CC(=O)NCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | nan | ||
| 59548117 | 124739 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 17 | 6 | 9 | 6.7 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CC(=O)NCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | nan | ||
| CHEMBL3645330 | 124739 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 17 | 6 | 9 | 6.7 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CC(=O)NCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | nan | ||
| 59548058 | 124740 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | CC(Cc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645331 | 124740 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | CC(Cc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548121 | 124741 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | C[C@H](Cc1cccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645332 | 124741 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | C[C@H](Cc1cccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548110 | 124742 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | C[C@@H](Cc1cccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645333 | 124742 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | C[C@@H](Cc1cccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548080 | 124743 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 17 | 6 | 9 | 7.4 | Cc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645334 | 124743 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 17 | 6 | 9 | 7.4 | Cc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548135 | 124744 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 17 | 6 | 9 | 7.4 | Cc1c(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cccc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645335 | 124744 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 17 | 6 | 9 | 7.4 | Cc1c(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cccc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548052 | 124746 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 882 | 17 | 6 | 9 | 7.2 | CC(Cc1cc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)ccc1F)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645337 | 124746 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 882 | 17 | 6 | 9 | 7.2 | CC(Cc1cc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)ccc1F)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548059 | 124750 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 17 | 6 | 9 | 6.7 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)Cc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | nan | ||
| CHEMBL3645340 | 124750 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 17 | 6 | 9 | 6.7 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)Cc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | nan | ||
| 59548142 | 124751 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | CC(Cc1cccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645341 | 124751 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | CC(Cc1cccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548084 | 124752 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | C[C@H](Cc1cccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645342 | 124752 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | C[C@H](Cc1cccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548083 | 124753 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | C[C@@H](Cc1cccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645343 | 124753 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | C[C@@H](Cc1cccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548114 | 124754 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | CC(Cc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645344 | 124754 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 864 | 17 | 6 | 9 | 7.1 | CC(Cc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548140 | 124755 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645345 | 124755 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548050 | 124756 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1C[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645346 | 124756 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1C[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548069 | 124758 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 882 | 17 | 6 | 9 | 7.2 | CC(Cc1cc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)ccc1F)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645348 | 124758 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 882 | 17 | 6 | 9 | 7.2 | CC(Cc1cc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)ccc1F)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548085 | 124759 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | CC(Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645349 | 124759 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | CC(Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548115 | 124760 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | C[C@@H](Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645350 | 124760 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | C[C@@H](Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548103 | 124761 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | CC(Cc1ccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645351 | 124761 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | CC(Cc1ccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548057 | 124762 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | C[C@@H](Cc1ccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645352 | 124762 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | C[C@@H](Cc1ccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548078 | 124763 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.5 | CC(Cc1cccc(CCC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645353 | 124763 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.5 | CC(Cc1cccc(CCC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548082 | 124764 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.5 | C[C@H](Cc1cccc(CCC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645354 | 124764 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.5 | C[C@H](Cc1cccc(CCC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548090 | 124766 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CC(C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1CC(=O)NCc1ccc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL3645356 | 124766 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CC(C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1CC(=O)NCc1ccc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 | nan | ||
| 59548137 | 124767 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 882 | 17 | 6 | 9 | 7.2 | CC(Cc1ccc(F)c(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645357 | 124767 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 882 | 17 | 6 | 9 | 7.2 | CC(Cc1ccc(F)c(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548068 | 124769 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 788 | 17 | 6 | 9 | 6.0 | CN(CCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645359 | 124769 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 788 | 17 | 6 | 9 | 6.0 | CN(CCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 59548105 | 124771 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.4 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645361 | 124771 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 836 | 15 | 6 | 9 | 7.4 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 56953428 | 124773 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 788 | 17 | 6 | 9 | 6.4 | CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645363 | 124773 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 788 | 17 | 6 | 9 | 6.4 | CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 49785227 | 124775 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | C[C@H](Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645365 | 124775 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | C[C@H](Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 49785225 | 127945 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 816 | 17 | 6 | 9 | 7.0 | Cc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3666068 | 127945 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 816 | 17 | 6 | 9 | 7.0 | Cc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 49785142 | 142740 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 816 | 18 | 6 | 9 | 5.8 | C[C@@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3896828 | 142740 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 816 | 18 | 6 | 9 | 5.8 | C[C@@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 118405092 | 149720 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 848 | 15 | 5 | 8 | 8.9 | Cc1ccc(C(=O)Nc2ccc(CC(C)NC[C@H](C)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3952427 | 149720 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 848 | 15 | 5 | 8 | 8.9 | Cc1ccc(C(=O)Nc2ccc(CC(C)NC[C@H](C)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 118405970 | 151273 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 848 | 17 | 5 | 8 | 7.6 | CC(Cc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NCCc1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3965175 | 151273 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 848 | 17 | 5 | 8 | 7.6 | CC(Cc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NCCc1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 118405900 | 153134 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 852 | 15 | 6 | 10 | 7.4 | COc1cc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3981221 | 153134 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 852 | 15 | 6 | 10 | 7.4 | COc1cc(NC(=O)c2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 118405964 | 160232 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.3 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1 | nan | ||
| CHEMBL4114219 | 160232 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 850 | 16 | 6 | 9 | 7.3 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(CCNC(=O)c2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1 | nan | ||
| 11214499 | 85585 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 516 | 11 | 5 | 5 | 4.3 | C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL230490 | 85585 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 516 | 11 | 5 | 5 | 4.3 | C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2010.10.132 | ||
| 45484583 | 196815 | 0 | None | 3 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL577702 | 196815 | 0 | None | 3 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 10438748 | 58228 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 612 | 14 | 5 | 7 | 6.2 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683932 | 58228 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 612 | 14 | 5 | 7 | 6.2 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 10326800 | 58233 | 1 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683938 | 58233 | 1 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| 45484569 | 195957 | 0 | None | 4 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 596 | 13 | 6 | 9 | 1.5 | CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4c3OCC(=O)N4)cc2)CC1 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL570834 | 195957 | 0 | None | 4 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 596 | 13 | 6 | 9 | 1.5 | CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4c3OCC(=O)N4)cc2)CC1 | 10.1016/j.bmcl.2009.06.104 | ||
| 45101520 | 197106 | 0 | None | 3 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 513 | 12 | 7 | 8 | 1.2 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL583235 | 197106 | 0 | None | 3 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 513 | 12 | 7 | 8 | 1.2 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 44396736 | 66534 | 0 | None | -11 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186271 | 66534 | 0 | None | -11 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 56665368 | 66126 | 0 | None | -1 | 4 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835854 | 66126 | 0 | None | -1 | 4 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852119 | 66126 | 0 | None | -1 | 4 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 10180590 | 69888 | 0 | None | 707 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940830 | 69888 | 0 | None | 707 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 57398384 | 69891 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 459 | 10 | 6 | 6 | 3.2 | O=c1ccc2c([C@@H](O)CNCCc3ccc(NC[C@H](O)c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940833 | 69891 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 459 | 10 | 6 | 6 | 3.2 | O=c1ccc2c([C@@H](O)CNCCc3ccc(NC[C@H](O)c4ccccc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.11.072 | ||
| 9893058 | 66050 | 0 | None | 39 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814267 | 66050 | 0 | None | 39 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851721 | 66050 | 0 | None | 39 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
| 56675511 | 66076 | 0 | None | 31 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814273 | 66076 | 0 | None | 31 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851850 | 66076 | 0 | None | 31 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 16049374 | 63768 | 0 | None | 89 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807869 | 63768 | 0 | None | 89 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 481 | 13 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 118737359 | 118561 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 719 | 14 | 6 | 9 | 5.8 | COc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1NC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 10.1021/jm501915g | ||
| CHEMBL3426707 | 118561 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 719 | 14 | 6 | 9 | 5.8 | COc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1NC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 10.1021/jm501915g | ||
| 24901284 | 70043 | 0 | None | 2 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945296 | 70043 | 0 | None | 2 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 42625897 | 12370 | 0 | None | 501 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
| CHEMBL1186265 | 12370 | 0 | None | 501 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
| CHEMBL456485 | 12370 | 0 | None | 501 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
| 10311070 | 111768 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290989 | 111768 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 10310047 | 111771 | 0 | None | 158 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290991 | 111771 | 0 | None | 158 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 145989945 | 166236 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c([C@@H](CO)NCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4284146 | 166236 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c([C@@H](CO)NCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| 53318455 | 58227 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 556 | 10 | 5 | 7 | 4.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683931 | 58227 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 556 | 10 | 5 | 7 | 4.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 11703823 | 199470 | 0 | None | 131 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 390 | 6 | 4 | 5 | 3.0 | CC(C)(Cc1ccc(Cl)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL603274 | 199470 | 0 | None | 131 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 390 | 6 | 4 | 5 | 3.0 | CC(C)(Cc1ccc(Cl)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 44396715 | 67112 | 0 | None | -20 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL189081 | 67112 | 0 | None | -20 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 156015726 | 177701 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 410 | 7 | 4 | 5 | 3.0 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2cccc(C(F)(F)F)c2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4647449 | 177701 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 410 | 7 | 4 | 5 | 3.0 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2cccc(C(F)(F)F)c2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650846 | 177701 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 410 | 7 | 4 | 5 | 3.0 | O=C1COc2c(cc(O)cc2C(O)CNCCCc2cccc(C(F)(F)F)c2)N1 | 10.1016/j.bmc.2019.115178 | ||
| 46232973 | 199104 | 0 | None | 19 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600617 | 199104 | 0 | None | 19 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 9800339 | 199468 | 6 | None | 251 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL603271 | 199468 | 6 | None | 251 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 4183 | 1994 | 62 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| 6918554 | 1994 | 62 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| 7455 | 1994 | 62 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1095777 | 1994 | 62 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| DB05039 | 1994 | 62 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| 45483844 | 196719 | 0 | None | 4 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL576848 | 196719 | 0 | None | 4 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2ccc(O)c3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| 44392566 | 64497 | 0 | None | 11 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C=C(C)CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181964 | 64497 | 0 | None | 11 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C=C(C)CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 2233849 | 33133 | 8 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 446 | 10 | 1 | 7 | 4.1 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1419122 | 33133 | 8 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 446 | 10 | 1 | 7 | 4.1 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Cl)cc1 | nan | ||
| 10288976 | 66247 | 0 | None | -10 | 4 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835862 | 66247 | 0 | None | -10 | 4 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852543 | 66247 | 0 | None | -10 | 4 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 44339091 | 9356 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 429 | 12 | 4 | 7 | 2.6 | O=C(CCOCCc1ccccc1)NCCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL111775 | 9356 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 429 | 12 | 4 | 7 | 2.6 | O=C(CCOCCc1ccccc1)NCCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2011.04.135 | ||
| 53307432 | 63232 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 485 | 15 | 3 | 6 | 3.7 | CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1800659 | 63232 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 485 | 15 | 3 | 6 | 3.7 | CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| 16049448 | 63764 | 0 | None | 56 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807829 | 63764 | 0 | None | 56 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 16049376 | 63770 | 0 | None | 44 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807871 | 63770 | 0 | None | 44 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 4.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 53307432 | 63232 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 485 | 15 | 3 | 6 | 3.7 | CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| CHEMBL1800659 | 63232 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 485 | 15 | 3 | 6 | 3.7 | CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| 118737353 | 118554 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 705 | 13 | 6 | 9 | 5.2 | COc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3426700 | 118554 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 705 | 13 | 6 | 9 | 5.2 | COc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 145989075 | 166539 | 0 | None | 524 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 324 | 6 | 4 | 4 | 2.1 | O=c1ccc2c(C(CO)NCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4289813 | 166539 | 0 | None | 524 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 324 | 6 | 4 | 4 | 2.1 | O=c1ccc2c(C(CO)NCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 90645346 | 112003 | 0 | None | 2 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298762 | 112003 | 0 | None | 2 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 11180293 | 112016 | 0 | None | 22 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298897 | 112016 | 0 | None | 22 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24901416 | 70016 | 0 | None | -2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945035 | 70016 | 0 | None | -2 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 10370605 | 105952 | 0 | None | 158 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | ||
| CHEMBL3126385 | 105952 | 0 | None | 158 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | ||
| CHEMBL3139615 | 105952 | 0 | None | 158 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | ||
| 42625588 | 179845 | 0 | None | 630 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 2.9 | NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL475237 | 179845 | 0 | None | 630 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 2.9 | NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 46833102 | 14091 | 0 | None | 31 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1084656 | 14091 | 0 | None | 31 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198882 | 14091 | 0 | None | 31 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 46832507 | 14099 | 0 | None | 12 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1085638 | 14099 | 0 | None | 12 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198915 | 14099 | 0 | None | 12 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 57400045 | 69878 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 456 | 11 | 6 | 6 | 3.5 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(Cl)cc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940820 | 69878 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 456 | 11 | 6 | 6 | 3.5 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(Cl)cc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 149373618 | 177674 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 358 | 7 | 4 | 6 | 1.6 | COc1ccc(CCNCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4642893 | 177674 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 358 | 7 | 4 | 6 | 1.6 | COc1ccc(CCNCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650643 | 177674 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 358 | 7 | 4 | 6 | 1.6 | COc1ccc(CCNCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| 73056754 | 103799 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099659 | 103799 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 45483847 | 195137 | 0 | None | 2 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL565686 | 195137 | 0 | None | 2 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 45101522 | 197339 | 0 | None | 5 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 578 | 15 | 7 | 9 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCNCCCS(=O)(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL585751 | 197339 | 0 | None | 5 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 578 | 15 | 7 | 9 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCNCCCS(=O)(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 11962616 | 219 | 7 | None | 40 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | ||
| 9326 | 219 | 7 | None | 40 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL3039530 | 219 | 7 | None | 40 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | ||
| DB12100 | 219 | 7 | None | 40 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | ||
| 56678845 | 66073 | 0 | None | 15 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814269 | 66073 | 0 | None | 15 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851839 | 66073 | 0 | None | 15 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
| 145981405 | 165945 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3ccccc3Cl)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4278577 | 165945 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3ccccc3Cl)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 145987168 | 166662 | 0 | None | 316 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1cccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4291941 | 166662 | 0 | None | 316 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1cccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.ejmech.2018.04.041 | ||
| 10173878 | 111967 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 459 | 10 | 5 | 6 | 4.2 | CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298327 | 111967 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 459 | 10 | 5 | 6 | 4.2 | CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24901283 | 70039 | 0 | None | -2 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945292 | 70039 | 0 | None | -2 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 10076176 | 105954 | 0 | None | 50 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | ||
| CHEMBL3126382 | 105954 | 0 | None | 50 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | ||
| CHEMBL3139683 | 105954 | 0 | None | 50 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | ||
| 46832804 | 6908 | 0 | None | 50 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL1084655 | 6908 | 0 | None | 50 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
| 10310564 | 111767 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290988 | 111767 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 57396615 | 69876 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 2.9 | CN(CC(O)c1ccccc1)c1ccc(CCNCC(O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940818 | 69876 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 2.9 | CN(CC(O)c1ccccc1)c1ccc(CCNCC(O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmcl.2011.11.072 | ||
| 57391344 | 69879 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 440 | 11 | 6 | 6 | 3.0 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940821 | 69879 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 440 | 11 | 6 | 6 | 3.0 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 10902809 | 47813 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 304 | 7 | 3 | 3 | 3.5 | C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL155072 | 47813 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 304 | 7 | 3 | 3 | 3.5 | C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 11005613 | 119294 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 501 | 12 | 4 | 5 | 4.3 | Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL348269 | 119294 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 501 | 12 | 4 | 5 | 4.3 | Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 90655867 | 110776 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 562 | 17 | 3 | 7 | 3.9 | CCN(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1 | 10.1021/ml4005232 | ||
| CHEMBL3265164 | 110776 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 562 | 17 | 3 | 7 | 3.9 | CCN(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1 | 10.1021/ml4005232 | ||
| 16036676 | 110779 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 17 | 3 | 7 | 4.4 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccc2ccccc2c1 | 10.1021/ml4005232 | ||
| CHEMBL3265168 | 110779 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 17 | 3 | 7 | 4.4 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccc2ccccc2c1 | 10.1021/ml4005232 | ||
| 54586985 | 61484 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 583 | 15 | 5 | 7 | 5.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773262 | 61484 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 583 | 15 | 5 | 7 | 5.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 145981007 | 166040 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c(C(CO)NCCc3ccccc3O)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4280227 | 166040 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c(C(CO)NCCc3ccccc3O)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 145994130 | 166827 | 0 | None | 83 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(CO)NCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4294937 | 166827 | 0 | None | 83 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 338 | 7 | 4 | 4 | 2.5 | O=c1ccc2c(C(CO)NCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 24900423 | 70192 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 537 | 9 | 4 | 6 | 5.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(-c4cccc(CN5Cc6ccccc6C5)c4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947154 | 70192 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 537 | 9 | 4 | 6 | 5.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(-c4cccc(CN5Cc6ccccc6C5)c4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 45271518 | 193414 | 0 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203999 | 193414 | 0 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549689 | 193414 | 0 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45272431 | 193439 | 0 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204002 | 193439 | 0 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549960 | 193439 | 0 | None | 6 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45271523 | 193458 | 0 | None | 10 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204000 | 193458 | 0 | None | 10 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550096 | 193458 | 0 | None | 10 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45270697 | 193500 | 0 | None | 20 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203995 | 193500 | 0 | None | 20 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550444 | 193500 | 0 | None | 20 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45272430 | 193773 | 0 | None | 8 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204001 | 193773 | 0 | None | 8 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552374 | 193773 | 0 | None | 8 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45269025 | 194473 | 0 | None | 3 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203991 | 194473 | 0 | None | 3 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL561173 | 194473 | 0 | None | 3 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45267257 | 195007 | 0 | None | 3 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203987 | 195007 | 0 | None | 3 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL564648 | 195007 | 0 | None | 3 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 11605652 | 12448 | 0 | None | 501 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186715 | 12448 | 0 | None | 501 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL475236 | 12448 | 0 | None | 501 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 59119455 | 111770 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290990 | 111770 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2014.04.069 | ||
| 44392457 | 165404 | 0 | None | -34 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL425161 | 165404 | 0 | None | -34 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 10121328 | 4372 | 0 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 593 | 11 | 5 | 10 | 1.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(C(=O)O)cn4)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101606 | 4372 | 0 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 593 | 11 | 5 | 10 | 1.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(C(=O)O)cn4)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 73056757 | 103797 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099657 | 103797 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 11539348 | 199103 | 0 | None | 9 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 434 | 6 | 4 | 5 | 3.1 | CC(C)(Cc1ccc(Br)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600616 | 199103 | 0 | None | 9 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 434 | 6 | 4 | 5 | 3.1 | CC(C)(Cc1ccc(Br)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 6852397 | 59917 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 330 | 8 | 4 | 5 | 2.4 | COc1ccc([C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | nan | ||
| CHEMBL1735137 | 59917 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 330 | 8 | 4 | 5 | 2.4 | COc1ccc([C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | nan | ||
| CHEMBL1740818 | 59917 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 330 | 8 | 4 | 5 | 2.4 | COc1ccc([C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | nan | ||
| 44441226 | 93235 | 0 | None | -7 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2nc(C(=O)O)co2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL246908 | 93235 | 0 | None | -7 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2nc(C(=O)O)co2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441231 | 147522 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2csc(C(=O)O)n2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL393470 | 147522 | 0 | None | -50 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2csc(C(=O)O)n2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 57397010 | 70152 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 515 | 11 | 4 | 5 | 5.3 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946761 | 70152 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 515 | 11 | 4 | 5 | 5.3 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 11124502 | 119203 | 0 | None | -630 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 551 | 13 | 4 | 7 | 3.3 | C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL347400 | 119203 | 0 | None | -630 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 551 | 13 | 4 | 7 | 3.3 | C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 11647543 | 137708 | 0 | None | -3981 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL377028 | 137708 | 0 | None | -3981 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 44428083 | 92129 | 0 | None | 4 | 2 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL243266 | 92129 | 0 | None | 4 | 2 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 127045854 | 139034 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3797205 | 139034 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 90644152 | 111760 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 503 | 11 | 5 | 6 | 3.1 | O=C(Cc1ccccc1)NC1CCN(c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)CC1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290981 | 111760 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 503 | 11 | 5 | 6 | 3.1 | O=C(Cc1ccccc1)NC1CCN(c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)CC1 | 10.1016/j.bmcl.2014.04.069 | ||
| 44331425 | 4379 | 0 | None | -100 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 576 | 13 | 6 | 8 | 2.5 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101630 | 4379 | 0 | None | -100 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 576 | 13 | 6 | 8 | 2.5 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1016/s0960-894x(02)00608-x | ||
| 11718543 | 165279 | 0 | None | -251 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)n1 | 10.1021/jm0509445 | ||
| CHEMBL424866 | 165279 | 0 | None | -251 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)n1 | 10.1021/jm0509445 | ||
| 168277791 | 192241 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 368 | 6 | 3 | 4 | 3.0 | COc1ccc(CNC(CO)c2cc(F)c(N)c(Br)c2)cc1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5176681 | 192241 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 368 | 6 | 3 | 4 | 3.0 | COc1ccc(CNC(CO)c2cc(F)c(N)c(Br)c2)cc1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5221722 | 192241 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 368 | 6 | 3 | 4 | 3.0 | COc1ccc(CNC(CO)c2cc(F)c(N)c(Br)c2)cc1 | 10.1021/acs.jmedchem.1c02006 | ||
| 168294241 | 192402 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 338 | 5 | 3 | 3 | 3.0 | Nc1c(F)cc(C(CO)NCc2ccccc2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5205567 | 192402 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 338 | 5 | 3 | 3 | 3.0 | Nc1c(F)cc(C(CO)NCc2ccccc2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222734 | 192402 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 338 | 5 | 3 | 3 | 3.0 | Nc1c(F)cc(C(CO)NCc2ccccc2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| 2685 | 877 | 15 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 541 | 877 | 15 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| CHEMBL280822 | 877 | 15 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 12578 | 923 | 55 | None | -1348 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
| 2755 | 923 | 55 | None | -1348 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
| CHEMBL1374751 | 923 | 55 | None | -1348 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
| 5311116 | 2303 | 6 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 544 | 2303 | 6 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| CHEMBL207802 | 2303 | 6 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 66653268 | 87823 | 0 | None | -3311 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| CHEMBL2348201 | 87823 | 0 | None | -3311 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| 56598967 | 87833 | 0 | None | -2238 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| CHEMBL2348211 | 87833 | 0 | None | -2238 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| 56598833 | 87839 | 0 | None | -436 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348217 | 87839 | 0 | None | -436 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
| 56598832 | 87840 | 0 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348218 | 87840 | 0 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 56597179 | 87841 | 0 | None | -2754 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348219 | 87841 | 0 | None | -2754 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 56598831 | 88713 | 0 | None | -1023 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348220 | 88713 | 0 | None | -1023 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2365796 | 88713 | 0 | None | -1023 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 90644151 | 111759 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 413 | 8 | 4 | 6 | 1.4 | CC(=O)N1CCN(c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)CC1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290980 | 111759 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 413 | 8 | 4 | 6 | 1.4 | CC(=O)N1CCN(c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)CC1 | 10.1016/j.bmcl.2014.04.069 | ||
| 73056758 | 103800 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099660 | 103800 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 90666108 | 108850 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 718 | 18 | 6 | 9 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(F)cc(F)c3O)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219038 | 108850 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 718 | 18 | 6 | 9 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(F)cc(F)c3O)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 89108753 | 192277 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 310 | 6 | 3 | 3 | 3.4 | CCCCNC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5186069 | 192277 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 310 | 6 | 3 | 3 | 3.4 | CCCCNC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5221958 | 192277 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 310 | 6 | 3 | 3 | 3.4 | CCCCNC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 16735272 | 85385 | 0 | None | -57 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL229614 | 85385 | 0 | None | -57 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 2952103 | 29102 | 12 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 3.9 | CCOC(=O)N1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1 | nan | ||
| CHEMBL1383120 | 29102 | 12 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 3.9 | CCOC(=O)N1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1 | nan | ||
| 2945777 | 31532 | 14 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 454 | 8 | 1 | 9 | 4.0 | COc1cc(OC)nc(NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)n1 | nan | ||
| CHEMBL1405897 | 31532 | 14 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 454 | 8 | 1 | 9 | 4.0 | COc1cc(OC)nc(NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)n1 | nan | ||
| 10745501 | 110060 | 0 | None | -288 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.4 | CCCCN(CC(=O)O)C(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| CHEMBL32521 | 110060 | 0 | None | -288 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.4 | CCCCN(CC(=O)O)C(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| 659759 | 47007 | 10 | None | 14 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 3.0 | CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| CHEMBL1543973 | 47007 | 10 | None | 14 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 3.0 | CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| 18559738 | 35082 | 8 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 426 | 5 | 0 | 6 | 4.3 | COc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCC(C)C3)c2cc1OC | nan | ||
| CHEMBL1436649 | 35082 | 8 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 426 | 5 | 0 | 6 | 4.3 | COc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCC(C)C3)c2cc1OC | nan | ||
| 664890 | 40156 | 9 | None | 9 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 431 | 8 | 1 | 7 | 5.0 | Cc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 | nan | ||
| CHEMBL1482007 | 40156 | 9 | None | 9 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 431 | 8 | 1 | 7 | 5.0 | Cc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 | nan | ||
| 25023951 | 176379 | 0 | None | - | 1 | Golden hamster | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 489 | 11 | 8 | 13 | -0.8 | Nc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| CHEMBL462274 | 176379 | 0 | None | - | 1 | Golden hamster | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 489 | 11 | 8 | 13 | -0.8 | Nc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| 3759952 | 22283 | 7 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 368 | 5 | 3 | 6 | 2.8 | CCOC(=O)C1(C)C=C(Nc2ccc(O)cc2)C(=O)N1c1ccc(O)cc1 | nan | ||
| 4017821 | 22283 | 7 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 368 | 5 | 3 | 6 | 2.8 | CCOC(=O)C1(C)C=C(Nc2ccc(O)cc2)C(=O)N1c1ccc(O)cc1 | nan | ||
| CHEMBL1325241 | 22283 | 7 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 368 | 5 | 3 | 6 | 2.8 | CCOC(=O)C1(C)C=C(Nc2ccc(O)cc2)C(=O)N1c1ccc(O)cc1 | nan | ||
| 4183 | 1994 | 62 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| 6918554 | 1994 | 62 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| 7455 | 1994 | 62 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| CHEMBL1095777 | 1994 | 62 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| DB05039 | 1994 | 62 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| 44392480 | 64248 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 471 | 12 | 4 | 6 | 4.1 | CC/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181603 | 64248 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 471 | 12 | 4 | 6 | 4.1 | CC/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 59548053 | 124765 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.5 | C[C@@H](Cc1cccc(CCC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645355 | 124765 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.5 | C[C@@H](Cc1cccc(CCC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 45484538 | 13983 | 0 | None | 2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL1197779 | 13983 | 0 | None | 2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL585382 | 13983 | 0 | None | 2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 556 | 13 | 6 | 7 | 1.9 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 1287365 | 37583 | 9 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 373 | 5 | 2 | 3 | 5.3 | Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 | nan | ||
| CHEMBL1458579 | 37583 | 9 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 373 | 5 | 2 | 3 | 5.3 | Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 | nan | ||
| 46232857 | 199074 | 0 | None | 19 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600400 | 199074 | 0 | None | 19 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 3.3 | CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 44428083 | 92129 | 0 | None | 4 | 2 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL243266 | 92129 | 0 | None | 4 | 2 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 44428085 | 92829 | 0 | None | - | 1 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 399 | 9 | 4 | 8 | 2.6 | Cc1nonc1COc1ccc(CC(C)NCC(O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm0704595 | ||
| CHEMBL244906 | 92829 | 0 | None | - | 1 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 399 | 9 | 4 | 8 | 2.6 | Cc1nonc1COc1ccc(CC(C)NCC(O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm0704595 | ||
| 1155 | 1599 | 45 | None | 2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | nan | ||
| 3343 | 1599 | 45 | None | 2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | nan | ||
| 557 | 1599 | 45 | None | 2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | nan | ||
| CHEMBL32800 | 1599 | 45 | None | 2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | nan | ||
| DB01288 | 1599 | 45 | None | 2 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | nan | ||
| 44428083 | 92129 | 0 | None | 4 | 2 | Guinea pig | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL243266 | 92129 | 0 | None | 4 | 2 | Guinea pig | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 24895263 | 192953 | 0 | None | -31622 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1021/jm8000345 | ||
| CHEMBL529659 | 192953 | 0 | None | -31622 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1021/jm8000345 | ||
| 44591508 | 178417 | 0 | None | -31622 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccncc1[C@@H](O)CNCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1 | 10.1021/jm9000709 | ||
| CHEMBL470857 | 178417 | 0 | None | -31622 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccncc1[C@@H](O)CNCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1 | 10.1021/jm9000709 | ||
| 1542103 | 22284 | 24 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 418 | 4 | 0 | 6 | 4.2 | Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL1325250 | 22284 | 24 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 418 | 4 | 0 | 6 | 4.2 | Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 | nan | ||
| 46221604 | 8472 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1ccc(CC)c2c1CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1094487 | 8472 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1ccc(CC)c2c1CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 44589133 | 175271 | 0 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | ||
| CHEMBL458541 | 175271 | 0 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | ||
| 54586986 | 61485 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 780 | 27 | 6 | 8 | 8.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)CCCCCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773263 | 61485 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 780 | 27 | 6 | 8 | 8.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)CCCCCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 44610361 | 123470 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 698 | 14 | 5 | 9 | 4.9 | 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 | ||
| CHEMBL3629357 | 123470 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 698 | 14 | 5 | 9 | 4.9 | 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 | ||
| 2488220 | 28616 | 3 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 409 | 5 | 0 | 6 | 1.1 | CN(CC(=O)N1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1379002 | 28616 | 3 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 409 | 5 | 0 | 6 | 1.1 | CN(CC(=O)N1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 | nan | ||
| 145986105 | 164818 | 0 | None | -83 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 10 | 4 | 4 | 4.0 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4237453 | 164818 | 0 | None | -83 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 429 | 10 | 4 | 4 | 4.0 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 168289963 | 192360 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 334 | 8 | 3 | 4 | 2.2 | CCOCCCNC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5195910 | 192360 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 334 | 8 | 3 | 4 | 2.2 | CCOCCCNC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222469 | 192360 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 334 | 8 | 3 | 4 | 2.2 | CCOCCCNC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 2560512 | 23855 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 335 | 4 | 2 | 9 | 1.7 | Nc1cc(N)nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 | nan | ||
| CHEMBL1338286 | 23855 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 335 | 4 | 2 | 9 | 1.7 | Nc1cc(N)nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 | nan | ||
| 1267856 | 45686 | 11 | None | 31 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 6 | 1 | 7 | 2.2 | CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 | nan | ||
| CHEMBL1532219 | 45686 | 11 | None | 31 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 6 | 1 | 7 | 2.2 | CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 | nan | ||
| 5182299 | 24729 | 9 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 457 | 5 | 1 | 4 | 4.5 | O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1c(F)cccc1F | nan | ||
| CHEMBL1345891 | 24729 | 9 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 457 | 5 | 1 | 4 | 4.5 | O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1c(F)cccc1F | nan | ||
| 9871800 | 56194 | 0 | None | -120 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL163262 | 56194 | 0 | None | -120 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| 44396509 | 66962 | 0 | None | -6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 513 | 11 | 4 | 6 | 5.1 | CC(C)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL188315 | 66962 | 0 | None | -6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 513 | 11 | 4 | 6 | 5.1 | CC(C)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 44331444 | 4205 | 0 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 709 | 13 | 5 | 8 | 4.2 | CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL100589 | 4205 | 0 | None | 2 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 709 | 13 | 5 | 8 | 4.2 | CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| 10221081 | 123581 | 1 | None | -10 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0704595 | ||
| CHEMBL363325 | 123581 | 1 | None | -10 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0704595 | ||
| 16222317 | 199197 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 392 | 6 | 4 | 5 | 2.6 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL601429 | 199197 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 392 | 6 | 4 | 5 | 2.6 | CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 11189433 | 199199 | 0 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL601430 | 199199 | 0 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 16735495 | 85359 | 0 | None | 3 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL229401 | 85359 | 0 | None | 3 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 16049160 | 63760 | 0 | None | 10 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 491 | 15 | 5 | 8 | 3.3 | CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807825 | 63760 | 0 | None | 10 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 491 | 15 | 5 | 8 | 3.3 | CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | ||
| 90655869 | 110778 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 574 | 15 | 3 | 7 | 4.0 | O=C(CCOCCc1cccc(Cl)c1)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)CCN1CCCCC1 | 10.1021/ml4005232 | ||
| CHEMBL3265166 | 110778 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 574 | 15 | 3 | 7 | 4.0 | O=C(CCOCCc1cccc(Cl)c1)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)CCN1CCCCC1 | 10.1021/ml4005232 | ||
| 145992462 | 166388 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 352 | 8 | 4 | 4 | 2.9 | O=c1ccc2c(C(CO)NCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4287029 | 166388 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 352 | 8 | 4 | 4 | 2.9 | O=c1ccc2c(C(CO)NCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 76315639 | 84893 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(C(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL2260987 | 84893 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(C(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | ||
| 127045855 | 139134 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3797876 | 139134 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| 44428086 | 149547 | 0 | None | 7 | 2 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL395082 | 149547 | 0 | None | 7 | 2 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 44565932 | 186428 | 0 | None | -15135 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 528 | 11 | 4 | 8 | 3.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL490733 | 186428 | 0 | None | -15135 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 528 | 11 | 4 | 8 | 3.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 10221081 | 123581 | 1 | None | -10 | 3 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0704595 | ||
| CHEMBL363325 | 123581 | 1 | None | -10 | 3 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0704595 | ||
| 44428083 | 92129 | 0 | None | -4 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL243266 | 92129 | 0 | None | -4 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 162386697 | 184167 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 390 | 3 | 0 | 6 | 2.3 | O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1 | 10.1021/acs.jmedchem.1c01136 | ||
| CHEMBL4850904 | 184167 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 390 | 3 | 0 | 6 | 2.3 | O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1 | 10.1021/acs.jmedchem.1c01136 | ||
| 580005 | 44077 | 10 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 319 | 4 | 0 | 6 | 3.5 | c1ccc(CSc2nnnn2-c2cccc3ccccc23)nc1 | nan | ||
| CHEMBL1517798 | 44077 | 10 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 319 | 4 | 0 | 6 | 3.5 | c1ccc(CSc2nnnn2-c2cccc3ccccc23)nc1 | nan | ||
| 651592 | 45643 | 5 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 446 | 5 | 0 | 6 | 4.0 | CN(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)n2)cc1 | nan | ||
| CHEMBL1531826 | 45643 | 5 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 446 | 5 | 0 | 6 | 4.0 | CN(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)n2)cc1 | nan | ||
| 57399439 | 70515 | 0 | None | - | 1 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 538 | 13 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNC[C@@H](O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| CHEMBL1951068 | 70515 | 0 | None | - | 1 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 538 | 13 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNC[C@@H](O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| 53307431 | 63221 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 499 | 15 | 2 | 6 | 4.0 | CCCCN(CCN(C)CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1800475 | 63221 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 499 | 15 | 2 | 6 | 4.0 | CCCCN(CCN(C)CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| 9888047 | 92949 | 0 | None | -501 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1cccc(-c2occc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245673 | 92949 | 0 | None | -501 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1cccc(-c2occc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441227 | 147517 | 0 | None | -7 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2nc(C(=O)O)co2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL393469 | 147517 | 0 | None | -7 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2nc(C(=O)O)co2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 929341 | 26825 | 8 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 307 | 3 | 0 | 4 | 4.5 | N#Cc1cc(-c2ccccc2)nc(Oc2ccc(Cl)cc2)n1 | nan | ||
| CHEMBL1364979 | 26825 | 8 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 307 | 3 | 0 | 4 | 4.5 | N#Cc1cc(-c2ccccc2)nc(Oc2ccc(Cl)cc2)n1 | nan | ||
| 1025603 | 28231 | 11 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 8 | 1 | 4 | 3.4 | CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1375364 | 28231 | 11 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 8 | 1 | 4 | 3.4 | CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | nan | ||
| 9512 | 3579 | 35 | None | -316 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| 9887812 | 3579 | 35 | None | -316 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| CHEMBL208427 | 3579 | 35 | None | -316 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| DB06190 | 3579 | 35 | None | -316 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| 90644148 | 111755 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 474 | 10 | 4 | 6 | 3.9 | O=C(c1ccccc1)C1CCN(c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)CC1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290977 | 111755 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 474 | 10 | 4 | 6 | 3.9 | O=C(c1ccccc1)C1CCN(c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)CC1 | 10.1016/j.bmcl.2014.04.069 | ||
| 16013947 | 21485 | 6 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 442 | 6 | 1 | 8 | 1.9 | CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cnnn4)cc3)CC2)cc1 | nan | ||
| CHEMBL1318405 | 21485 | 6 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 442 | 6 | 1 | 8 | 1.9 | CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cnnn4)cc3)CC2)cc1 | nan | ||
| 2475524 | 23322 | 7 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 332 | 4 | 0 | 5 | 4.4 | CN(Cc1cccs1)c1nc(-c2cccnc2)nc2ccccc12 | nan | ||
| CHEMBL1333885 | 23322 | 7 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 332 | 4 | 0 | 5 | 4.4 | CN(Cc1cccs1)c1nc(-c2cccnc2)nc2ccccc12 | nan | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 90666103 | 108846 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 682 | 18 | 6 | 9 | 6.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cccc(O)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219033 | 108846 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 682 | 18 | 6 | 9 | 6.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cccc(O)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 24876564 | 61452 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 668 | 20 | 5 | 7 | 7.5 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773074 | 61452 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 668 | 20 | 5 | 7 | 7.5 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 24791478 | 30378 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 420 | 8 | 1 | 7 | 2.7 | COCCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1 | nan | ||
| CHEMBL1393806 | 30378 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 420 | 8 | 1 | 7 | 2.7 | COCCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1 | nan | ||
| 76315638 | 84892 | 0 | None | -23 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL2260986 | 84892 | 0 | None | -23 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | ||
| 6916441 | 98868 | 1 | None | -158 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL282190 | 98868 | 1 | None | -158 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | ||
| 12582 | 937 | 40 | None | 9 | 4 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| 2783 | 937 | 40 | None | 9 | 4 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| CHEMBL49080 | 937 | 40 | None | 9 | 4 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| DB01407 | 937 | 40 | None | 9 | 4 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| 9874175 | 58230 | 1 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1039/C1MD00140J | ||
| CHEMBL1683934 | 58230 | 1 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1039/C1MD00140J | ||
| 90666123 | 108869 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 752 | 16 | 6 | 10 | 6.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(OCCCN3CCC(OC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)CC3)cc2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219056 | 108869 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 752 | 16 | 6 | 10 | 6.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(OCCCN3CCC(OC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)CC3)cc2)ccc1O | 10.1039/C1MD00140J | ||
| 54583100 | 61486 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 731 | 21 | 5 | 8 | 7.4 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773264 | 61486 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 731 | 21 | 5 | 8 | 7.4 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 44554514 | 123469 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 692 | 18 | 5 | 9 | 5.9 | O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCC(Cn4cnc(C(O)(c5ccccc5)c5ccccc5)n4)CC3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| CHEMBL3629356 | 123469 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 692 | 18 | 5 | 9 | 5.9 | O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCC(Cn4cnc(C(O)(c5ccccc5)c5ccccc5)n4)CC3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| 5493324 | 98445 | 18 | None | -416 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL279260 | 98445 | 18 | None | -416 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 11785699 | 64509 | 0 | None | -12 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 519 | 12 | 4 | 6 | 4.9 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC/C=C/c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182018 | 64509 | 0 | None | -12 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 519 | 12 | 4 | 6 | 4.9 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC/C=C/c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44396798 | 168826 | 0 | None | -27 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL442225 | 168826 | 0 | None | -27 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 1608445 | 23948 | 10 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 396 | 4 | 2 | 8 | 3.8 | CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCCO)ncnc4c23)CO1 | nan | ||
| CHEMBL1339094 | 23948 | 10 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 396 | 4 | 2 | 8 | 3.8 | CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCCO)ncnc4c23)CO1 | nan | ||
| 45483846 | 195136 | 0 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL565685 | 195136 | 0 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 44428083 | 92129 | 0 | None | 4 | 2 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL243266 | 92129 | 0 | None | 4 | 2 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 559926 | 96559 | 5 | None | -27 | 2 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | ||
| CHEMBL266619 | 96559 | 5 | None | -27 | 2 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 255 | 5 | 4 | 5 | 1.2 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1 | 10.1021/jm00107a027 | ||
| 44428086 | 149547 | 0 | None | 7 | 2 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL395082 | 149547 | 0 | None | 7 | 2 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 102335359 | 121034 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 433 | 5 | 7 | 9 | -0.3 | OC[C@H]1O[C@@H](Oc2ccc(C[C@@H]3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2017.10.011 | ||
| CHEMBL3585932 | 121034 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 433 | 5 | 7 | 9 | -0.3 | OC[C@H]1O[C@@H](Oc2ccc(C[C@@H]3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2017.10.011 | ||
| 9896817 | 102412 | 0 | None | -44 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL305891 | 102412 | 0 | None | -44 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 24180436 | 92785 | 0 | None | 1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244687 | 92785 | 0 | None | 1 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 45483838 | 195257 | 0 | None | 14 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 383 | 7 | 4 | 4 | 3.5 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL566352 | 195257 | 0 | None | 14 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 383 | 7 | 4 | 4 | 3.5 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| 659802 | 26947 | 10 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 425 | 8 | 2 | 7 | 2.4 | CCCCCCN1C(=O)NC(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O | nan | ||
| CHEMBL1365995 | 26947 | 10 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 425 | 8 | 2 | 7 | 2.4 | CCCCCCN1C(=O)NC(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O | nan | ||
| 1267856 | 45686 | 11 | None | 31 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 6 | 1 | 7 | 2.2 | CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 | nan | ||
| CHEMBL1532219 | 45686 | 11 | None | 31 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 6 | 1 | 7 | 2.2 | CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 | nan | ||
| 645398 | 50651 | 9 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 336 | 4 | 3 | 4 | 3.8 | Cc1ccc(O)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 | nan | ||
| CHEMBL1577767 | 50651 | 9 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 336 | 4 | 3 | 4 | 3.8 | Cc1ccc(O)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 | nan | ||
| 24891819 | 55163 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 481 | 9 | 1 | 6 | 6.9 | COc1ccc(CSc2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2OC)cc1 | nan | ||
| CHEMBL1406272 | 55163 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 481 | 9 | 1 | 6 | 6.9 | COc1ccc(CSc2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2OC)cc1 | nan | ||
| CHEMBL1619809 | 55163 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 481 | 9 | 1 | 6 | 6.9 | COc1ccc(CSc2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2OC)cc1 | nan | ||
| 53379897 | 63315 | 0 | None | -151 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800961 | 63315 | 0 | None | -151 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 2231941 | 33984 | 8 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 457 | 11 | 1 | 9 | 3.4 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 | nan | ||
| CHEMBL1426242 | 33984 | 8 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 457 | 11 | 1 | 9 | 3.4 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 | nan | ||
| 1084214 | 45278 | 9 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 8 | 1 | 6 | 2.7 | CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 | nan | ||
| CHEMBL1528594 | 45278 | 9 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 8 | 1 | 6 | 2.7 | CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 | nan | ||
| 70684522 | 76424 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 343 | 4 | 3 | 4 | 1.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2 | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL2068577 | 76424 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 343 | 4 | 3 | 4 | 1.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2 | 10.1016/j.bmc.2011.11.054 | ||
| 70684522 | 76424 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 343 | 4 | 3 | 4 | 1.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2 | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL2068577 | 76424 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 343 | 4 | 3 | 4 | 1.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2 | 10.1016/j.bmc.2011.11.054 | ||
| 1028 | 287 | 69 | None | -15 | 16 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 139148732 | 287 | 69 | None | -15 | 16 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 479 | 287 | 69 | None | -15 | 16 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 5816 | 287 | 69 | None | -15 | 16 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL679 | 287 | 69 | None | -15 | 16 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00668 | 287 | 69 | None | -15 | 16 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 24794116 | 66755 | 1 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.7 | CSc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 | nan | ||
| CHEMBL1873201 | 66755 | 1 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.7 | CSc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 | nan | ||
| 54757772 | 65659 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 675 | 16 | 5 | 9 | 6.0 | O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCC(Oc4nn(-c5c(O)cccc5F)c5c4CCCC5)CC3)ccc(O)c2[nH]1 | 10.1021/jm2007535 | ||
| CHEMBL1836647 | 65659 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 675 | 16 | 5 | 9 | 6.0 | O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCC(Oc4nn(-c5c(O)cccc5F)c5c4CCCC5)CC3)ccc(O)c2[nH]1 | 10.1021/jm2007535 | ||
| 90666112 | 108856 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 730 | 18 | 6 | 9 | 7.2 | Cc1ccc(-c2ccc(O)c(Cl)c2)c(NC(=O)OC2CCN(CCCCCCCCCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c1 | 10.1039/C1MD00140J | ||
| CHEMBL3219044 | 108856 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 730 | 18 | 6 | 9 | 7.2 | Cc1ccc(-c2ccc(O)c(Cl)c2)c(NC(=O)OC2CCN(CCCCCCCCCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c1 | 10.1039/C1MD00140J | ||
| 46221397 | 8615 | 0 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 420 | 8 | 4 | 4 | 3.9 | CCCc1cc2c(cc1CCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1095778 | 8615 | 0 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 420 | 8 | 4 | 4 | 3.9 | CCCc1cc2c(cc1CCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 44609903 | 123472 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 698 | 18 | 5 | 9 | 6.4 | O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCC(Cn4cnc([C@](O)(c5ccccc5)C5CCCCC5)n4)CC3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| CHEMBL3629359 | 123472 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 698 | 18 | 5 | 9 | 6.4 | O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCC(Cn4cnc([C@](O)(c5ccccc5)C5CCCCC5)n4)CC3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| 10054373 | 58232 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 603 | 17 | 5 | 7 | 6.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683936 | 58232 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 603 | 17 | 5 | 7 | 6.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 24180436 | 92785 | 0 | None | 1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244687 | 92785 | 0 | None | 1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 46233013 | 199619 | 0 | None | 19 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL604125 | 199619 | 0 | None | 19 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
| 3145649 | 39234 | 9 | None | 177 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 395 | 4 | 0 | 4 | 4.7 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCC1 | nan | ||
| CHEMBL1472233 | 39234 | 9 | None | 177 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 395 | 4 | 0 | 4 | 4.7 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCC1 | nan | ||
| 3145570 | 46736 | 5 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 397 | 4 | 0 | 5 | 3.5 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCOCC1 | nan | ||
| CHEMBL1541608 | 46736 | 5 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 397 | 4 | 0 | 5 | 3.5 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCOCC1 | nan | ||
| 127047221 | 139400 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3799593 | 139400 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| 10722793 | 112848 | 0 | None | -114 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL331744 | 112848 | 0 | None | -114 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| 2382050 | 36641 | 7 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 487 | 9 | 1 | 7 | 3.3 | O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(COc2ccccc2)cs1 | nan | ||
| CHEMBL1450612 | 36641 | 7 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 487 | 9 | 1 | 7 | 3.3 | O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(COc2ccccc2)cs1 | nan | ||
| 24789191 | 39446 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 453 | 11 | 3 | 6 | 2.4 | NC(=O)CC(NC(=O)c1ccccc1)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1475105 | 39446 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 453 | 11 | 3 | 6 | 2.4 | NC(=O)CC(NC(=O)c1ccccc1)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 | nan | ||
| 44428083 | 92129 | 0 | None | -4 | 2 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL243266 | 92129 | 0 | None | -4 | 2 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 2340194 | 34422 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 461 | 7 | 2 | 7 | 4.8 | Cc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccco1 | nan | ||
| CHEMBL1429919 | 34422 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 461 | 7 | 2 | 7 | 4.8 | Cc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccco1 | nan | ||
| 145984324 | 165286 | 0 | None | -25 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 449 | 11 | 4 | 4 | 4.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=S)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4248727 | 165286 | 0 | None | -25 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 449 | 11 | 4 | 4 | 4.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=S)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 21977086 | 192364 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 323 | 4 | 3 | 4 | 2.5 | N#Cc1cc(C(CO)NC2CCCC2)cc(Br)c1N | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5200823 | 192364 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 323 | 4 | 3 | 4 | 2.5 | N#Cc1cc(C(CO)NC2CCCC2)cc(Br)c1N | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222486 | 192364 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 323 | 4 | 3 | 4 | 2.5 | N#Cc1cc(C(CO)NC2CCCC2)cc(Br)c1N | 10.1021/acs.jmedchem.1c02006 | ||
| 655617 | 30189 | 3 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 415 | 5 | 0 | 7 | 3.4 | CC(=O)c1cccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)c1 | nan | ||
| CHEMBL1392252 | 30189 | 3 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 415 | 5 | 0 | 7 | 3.4 | CC(=O)c1cccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)c1 | nan | ||
| 168282645 | 192286 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 386 | 6 | 3 | 3 | 4.6 | CC(C)(Cc1ccccc1)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5186002 | 192286 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 386 | 6 | 3 | 3 | 4.6 | CC(C)(Cc1ccccc1)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222019 | 192286 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 386 | 6 | 3 | 3 | 4.6 | CC(C)(Cc1ccccc1)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 123600 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 123600 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 4184788 | 25008 | 6 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 452 | 3 | 0 | 4 | 4.5 | Cc1c(C(=O)N2CCc3ccccc3C2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12 | nan | ||
| CHEMBL1348147 | 25008 | 6 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 452 | 3 | 0 | 4 | 4.5 | Cc1c(C(=O)N2CCc3ccccc3C2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12 | nan | ||
| 54583092 | 61467 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 695 | 19 | 6 | 7 | 7.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3cc(O)cc(O)c3)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773198 | 61467 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 695 | 19 | 6 | 7 | 7.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3cc(O)cc(O)c3)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 1028 | 287 | 69 | None | -2 | 16 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 139148732 | 287 | 69 | None | -2 | 16 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 479 | 287 | 69 | None | -2 | 16 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 5816 | 287 | 69 | None | -2 | 16 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL679 | 287 | 69 | None | -2 | 16 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00668 | 287 | 69 | None | -2 | 16 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 11625493 | 199028 | 0 | None | 12 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600007 | 199028 | 0 | None | 12 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 400 | 8 | 4 | 6 | 2.8 | CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 1094286 | 50564 | 15 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 4.2 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 | nan | ||
| CHEMBL1577023 | 50564 | 15 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 4.2 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 | nan | ||
| 319 | 1297 | 39 | None | -2 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| 321 | 1297 | 39 | None | -2 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| 444031 | 1297 | 39 | None | -2 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| 784 | 1297 | 39 | None | -2 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| DB00496 | 1297 | 39 | None | -2 | 6 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.05.097 | ||
| 90655865 | 110774 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 514 | 16 | 3 | 7 | 2.9 | CN(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| CHEMBL3265162 | 110774 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 514 | 16 | 3 | 7 | 2.9 | CN(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| 4183 | 1994 | 62 | None | 1 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | ||
| 6918554 | 1994 | 62 | None | 1 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | ||
| 7455 | 1994 | 62 | None | 1 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1095777 | 1994 | 62 | None | 1 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | ||
| DB05039 | 1994 | 62 | None | 1 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2011.10.049 | ||
| 24900874 | 70040 | 0 | None | 8 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945293 | 70040 | 0 | None | 8 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 44312924 | 164274 | 0 | None | -39 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL421871 | 164274 | 0 | None | -39 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 10651147 | 110194 | 0 | None | -380 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL32599 | 110194 | 0 | None | -380 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 3986625 | 42939 | 4 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 344 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)N2CCOCC2)cc1 | nan | ||
| CHEMBL1505690 | 42939 | 4 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 344 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)N2CCOCC2)cc1 | nan | ||
| 5307895 | 49858 | 7 | None | 9 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 441 | 8 | 1 | 8 | 2.9 | COc1ccc(OC)c(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c1 | nan | ||
| CHEMBL1570251 | 49858 | 7 | None | 9 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 441 | 8 | 1 | 8 | 2.9 | COc1ccc(OC)c(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c1 | nan | ||
| 168273723 | 192205 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 304 | 6 | 3 | 3 | 2.6 | CCCCNC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5178340 | 192205 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 304 | 6 | 3 | 3 | 2.6 | CCCCNC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5221450 | 192205 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 304 | 6 | 3 | 3 | 2.6 | CCCCNC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 1104203 | 44618 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 350 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1 | nan | ||
| CHEMBL1522618 | 44618 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 350 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1 | nan | ||
| 1266768 | 33800 | 11 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 365 | 6 | 1 | 7 | 2.5 | CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 | nan | ||
| CHEMBL1424678 | 33800 | 11 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 365 | 6 | 1 | 7 | 2.5 | CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 | nan | ||
| 3301343 | 59430 | 10 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 414 | 4 | 2 | 9 | 2.3 | CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN)ncnc4c23)CO1 | nan | ||
| CHEMBL1724644 | 59430 | 10 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 414 | 4 | 2 | 9 | 2.3 | CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN)ncnc4c23)CO1 | nan | ||
| 44441229 | 93316 | 0 | None | -199 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2nc(C(=O)O)cs2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247315 | 93316 | 0 | None | -199 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2nc(C(=O)O)cs2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 57395241 | 70154 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 448 | 11 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946763 | 70154 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 448 | 11 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57391792 | 70155 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 523 | 10 | 3 | 6 | 5.0 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CN4CC[C@@H](Oc5ccc(Cl)cc5)C4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946764 | 70155 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 523 | 10 | 3 | 6 | 5.0 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CN4CC[C@@H](Oc5ccc(Cl)cc5)C4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 90644144 | 111751 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 442 | 10 | 5 | 5 | 4.5 | OCc1cc(C(O)CNCCc2ccc(NCc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290973 | 111751 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 442 | 10 | 5 | 5 | 4.5 | OCc1cc(C(O)CNCCc2ccc(NCc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 11495581 | 76969 | 0 | None | -50 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 425 | 9 | 4 | 5 | 4.2 | C[C@H](CNc1cccc(-c2ncccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL208328 | 76969 | 0 | None | -50 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 425 | 9 | 4 | 5 | 4.2 | C[C@H](CNc1cccc(-c2ncccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 11546349 | 140802 | 0 | None | -50 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL383511 | 140802 | 0 | None | -50 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 90644143 | 111750 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 10 | 5 | 5 | 4.7 | OCc1cc(C(O)CNCCc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290972 | 111750 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 10 | 5 | 5 | 4.7 | OCc1cc(C(O)CNCCc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 90644147 | 111754 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 488 | 12 | 4 | 5 | 5.0 | OCc1cc(C(O)CNCCc2ccc(N3CCC(CCCc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290976 | 111754 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 488 | 12 | 4 | 5 | 5.0 | OCc1cc(C(O)CNCCc2ccc(N3CCC(CCCc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 145984042 | 165123 | 0 | None | -3467 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 475 | 13 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4244929 | 165123 | 0 | None | -3467 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 475 | 13 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 53380558 | 63317 | 2 | None | -4 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800963 | 63317 | 2 | None | -4 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| 44392519 | 123275 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 493 | 11 | 4 | 6 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL362293 | 123275 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 493 | 11 | 4 | 6 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 56663519 | 63314 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800960 | 63314 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 44392558 | 64924 | 0 | None | -2 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL182770 | 64924 | 0 | None | -2 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | ||
| 24817062 | 28565 | 7 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 382 | 5 | 0 | 3 | 4.1 | O=C(c1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1)N1CCCC1 | nan | ||
| CHEMBL1378531 | 28565 | 7 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 382 | 5 | 0 | 3 | 4.1 | O=C(c1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1)N1CCCC1 | nan | ||
| 2307884 | 67040 | 7 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 4.7 | O=C(COc1ccccc1F)N1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1886907 | 67040 | 7 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 347 | 3 | 0 | 2 | 4.7 | O=C(COc1ccccc1F)N1c2ccccc2CCc2ccccc21 | nan | ||
| 44428083 | 92129 | 0 | None | -4 | 2 | Rat | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL243266 | 92129 | 0 | None | -4 | 2 | Rat | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 1292336 | 32059 | 11 | None | 9 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 403 | 8 | 1 | 6 | 5.1 | CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cc1 | nan | ||
| CHEMBL1410048 | 32059 | 11 | None | 9 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 403 | 8 | 1 | 6 | 5.1 | CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cc1 | nan | ||
| 1084214 | 45278 | 9 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 432 | 8 | 1 | 6 | 2.7 | CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 | nan | ||
| CHEMBL1528594 | 45278 | 9 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 432 | 8 | 1 | 6 | 2.7 | CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 | nan | ||
| 16832456 | 51035 | 11 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 7 | 2 | 6 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1 | nan | ||
| CHEMBL1581044 | 51035 | 11 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 7 | 2 | 6 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1 | nan | ||
| 168276741 | 192230 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 330 | 4 | 3 | 3 | 3.1 | Nc1c(F)cc(C(CO)NC2CCCCC2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5180409 | 192230 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 330 | 4 | 3 | 3 | 3.1 | Nc1c(F)cc(C(CO)NC2CCCCC2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5221644 | 192230 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 330 | 4 | 3 | 3 | 3.1 | Nc1c(F)cc(C(CO)NC2CCCCC2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| 70686652 | 76423 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 3 | 4 | 5 | -0.1 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(O)O2 | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL2068576 | 76423 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 3 | 4 | 5 | -0.1 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(O)O2 | 10.1016/j.bmc.2011.11.054 | ||
| 70686652 | 76423 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 3 | 4 | 5 | -0.1 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(O)O2 | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL2068576 | 76423 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 3 | 4 | 5 | -0.1 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(O)O2 | 10.1016/j.bmc.2011.11.054 | ||
| 6407382 | 44922 | 4 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 527 | 4 | 1 | 6 | 5.8 | Cc1cccc(Nc2nnc(-c3ccc(C(=O)N4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)cc3)c3ccccc23)c1 | nan | ||
| CHEMBL1525540 | 44922 | 4 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 527 | 4 | 1 | 6 | 5.8 | Cc1cccc(Nc2nnc(-c3ccc(C(=O)N4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)cc3)c3ccccc23)c1 | nan | ||
| 2953239 | 31027 | 5 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 1.4 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1 | nan | ||
| CHEMBL1401186 | 31027 | 5 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 1.4 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1 | nan | ||
| 2233849 | 33133 | 8 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 446 | 10 | 1 | 7 | 4.1 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1419122 | 33133 | 8 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 446 | 10 | 1 | 7 | 4.1 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Cl)cc1 | nan | ||
| 24180436 | 92785 | 0 | None | -1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244687 | 92785 | 0 | None | -1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 90666119 | 108865 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 728 | 19 | 6 | 9 | 6.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C[C@H]3C[C@@]3(COC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219052 | 108865 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 728 | 19 | 6 | 9 | 6.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C[C@H]3C[C@@]3(COC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O | 10.1039/C1MD00140J | ||
| 54580128 | 61465 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 723 | 20 | 6 | 7 | 7.2 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(CO)c3)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773196 | 61465 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 723 | 20 | 6 | 7 | 7.2 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(CO)c3)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 44392457 | 165404 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL425161 | 165404 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | ||
| 44428081 | 92702 | 0 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 428 | 10 | 5 | 9 | 1.4 | CC(Cc1ccc(OCc2nonc2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244321 | 92702 | 0 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 428 | 10 | 5 | 9 | 1.4 | CC(Cc1ccc(OCc2nonc2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 45483831 | 195339 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 343 | 8 | 4 | 4 | 3.1 | CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL566992 | 195339 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 343 | 8 | 4 | 4 | 3.1 | CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmcl.2009.10.013 | ||
| 5808 | 176206 | 20 | None | -4 | 5 | Guinea pig | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| CHEMBL1257092 | 176206 | 20 | None | -4 | 5 | Guinea pig | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| CHEMBL460574 | 176206 | 20 | None | -4 | 5 | Guinea pig | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| 1271047 | 44105 | 13 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 301 | 5 | 1 | 1 | 4.7 | O=C(Nc1ccccc1)c1ccccc1CCc1ccccc1 | nan | ||
| CHEMBL1518070 | 44105 | 13 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 301 | 5 | 1 | 1 | 4.7 | O=C(Nc1ccccc1)c1ccccc1CCc1ccccc1 | nan | ||
| 664105 | 29566 | 8 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 468 | 4 | 1 | 9 | 2.8 | CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1 | nan | ||
| CHEMBL1387056 | 29566 | 8 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 468 | 4 | 1 | 9 | 2.8 | CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1 | nan | ||
| 54580133 | 61487 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 654 | 19 | 5 | 7 | 7.7 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(O)c3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773265 | 61487 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 654 | 19 | 5 | 7 | 7.7 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(O)c3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 6404528 | 44541 | 24 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 307 | 3 | 0 | 4 | 4.5 | N#Cc1cc(-c2ccccc2)nnc1Oc1ccccc1Cl | nan | ||
| CHEMBL1521880 | 44541 | 24 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 307 | 3 | 0 | 4 | 4.5 | N#Cc1cc(-c2ccccc2)nnc1Oc1ccccc1Cl | nan | ||
| 1231538 | 27311 | 23 | None | 1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | nan | ||
| CHEMBL1368962 | 27311 | 23 | None | 1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 523 | 6 | 1 | 6 | 6.0 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | nan | ||
| 135799875 | 185838 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 276 | 3 | 4 | 4 | 1.7 | CC(C)(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4876155 | 185838 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 276 | 3 | 4 | 4 | 1.7 | CC(C)(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| 24791840 | 59496 | 5 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 406 | 6 | 0 | 3 | 4.9 | CCc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 | nan | ||
| CHEMBL1727257 | 59496 | 5 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 406 | 6 | 0 | 3 | 4.9 | CCc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 | nan | ||
| 25023953 | 186800 | 0 | None | - | 1 | Golden hamster | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 577 | 17 | 8 | 15 | -1.5 | O=CNc1cc(C(O)CNCCOCCOCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| CHEMBL493489 | 186800 | 0 | None | - | 1 | Golden hamster | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 577 | 17 | 8 | 15 | -1.5 | O=CNc1cc(C(O)CNCCOCCOCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| 1155 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| 3343 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| 557 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| CHEMBL32800 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| DB01288 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| 24180436 | 92785 | 0 | None | -1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244687 | 92785 | 0 | None | -1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 46221603 | 8471 | 0 | None | -7 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 396 | 6 | 4 | 6 | 2.0 | COc1cc2c(cc1OC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1094486 | 8471 | 0 | None | -7 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 396 | 6 | 4 | 6 | 2.0 | COc1cc2c(cc1OC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 44392577 | 122027 | 0 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 455 | 10 | 4 | 6 | 3.2 | CC#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL360133 | 122027 | 0 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 455 | 10 | 4 | 6 | 3.2 | CC#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 11432806 | 65866 | 0 | None | -134 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 11432806 | 65866 | 0 | None | -134 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL184407 | 65866 | 0 | None | -134 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL184407 | 65866 | 0 | None | -134 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44396568 | 66949 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL188196 | 66949 | 0 | None | -34 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| 9873257 | 84521 | 12 | None | -47 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22375 | 84521 | 12 | None | -47 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| 11758172 | 100467 | 0 | None | -147 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL293994 | 100467 | 0 | None | -147 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| 44428086 | 149547 | 0 | None | -7 | 2 | Rat | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL395082 | 149547 | 0 | None | -7 | 2 | Rat | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 2005835 | 22369 | 8 | None | 6 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 459 | 5 | 1 | 9 | 5.2 | CSc1nc(SCCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CC(C)(C)OC4 | nan | ||
| CHEMBL1326167 | 22369 | 8 | None | 6 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 459 | 5 | 1 | 9 | 5.2 | CSc1nc(SCCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CC(C)(C)OC4 | nan | ||
| 24791840 | 59496 | 5 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 406 | 6 | 0 | 3 | 4.9 | CCc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 | nan | ||
| CHEMBL1727257 | 59496 | 5 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 406 | 6 | 0 | 3 | 4.9 | CCc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 | nan | ||
| 12988999 | 192202 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 354 | 3 | 3 | 3 | 3.5 | CC(C)(C)NC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5176025 | 192202 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 354 | 3 | 3 | 3 | 3.5 | CC(C)(C)NC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5221441 | 192202 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 354 | 3 | 3 | 3 | 3.5 | CC(C)(C)NC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 16735257 | 85304 | 0 | None | -812 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL228992 | 85304 | 0 | None | -812 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| 76319327 | 84902 | 0 | None | -14 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 584 | 14 | 4 | 7 | 4.5 | CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| CHEMBL2261203 | 84902 | 0 | None | -14 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 584 | 14 | 4 | 7 | 4.5 | CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| 1155 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| 3343 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| 557 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| CHEMBL32800 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| DB01288 | 1599 | 45 | None | -2 | 3 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| 25218684 | 178386 | 4 | None | 891 | 2 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O | 10.1021/jm801211c | ||
| CHEMBL470584 | 178386 | 4 | None | 891 | 2 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O | 10.1021/jm801211c | ||
| CHEMBL470585 | 178386 | 4 | None | 891 | 2 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O | 10.1021/jm801211c | ||
| 44396568 | 66949 | 0 | None | -34 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL188196 | 66949 | 0 | None | -34 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44392552 | 64195 | 0 | None | -35 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181440 | 64195 | 0 | None | -35 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 2977891 | 21603 | 8 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 452 | 5 | 0 | 5 | 1.8 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Br)cc1 | nan | ||
| CHEMBL1319376 | 21603 | 8 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 452 | 5 | 0 | 5 | 1.8 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Br)cc1 | nan | ||
| 168278795 | 192251 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 304 | 3 | 3 | 3 | 2.6 | CC(C)(C)NC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5183062 | 192251 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 304 | 3 | 3 | 3 | 2.6 | CC(C)(C)NC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5221779 | 192251 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 304 | 3 | 3 | 3 | 2.6 | CC(C)(C)NC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 10863093 | 50056 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 10 | 4 | 6 | 2.1 | C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL157210 | 50056 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 10 | 4 | 6 | 2.1 | C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 57401200 | 70512 | 0 | None | - | 1 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 510 | 11 | 4 | 8 | 2.7 | COc1ccc(C2=NN(CCNCC(O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| CHEMBL1951065 | 70512 | 0 | None | - | 1 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 510 | 11 | 4 | 8 | 2.7 | COc1ccc(C2=NN(CCNCC(O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| 57401202 | 70516 | 0 | None | - | 1 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 552 | 14 | 4 | 8 | 3.8 | COc1ccc(C2=NN(CCCCCNCC(O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| CHEMBL1951069 | 70516 | 0 | None | - | 1 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 552 | 14 | 4 | 8 | 3.8 | COc1ccc(C2=NN(CCCCCNCC(O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| 145987938 | 166507 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4289233 | 166507 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| 76329060 | 105955 | 0 | None | 199 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | ||
| CHEMBL3126381 | 105955 | 0 | None | 199 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | ||
| CHEMBL3139685 | 105955 | 0 | None | 199 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | ||
| 90644153 | 111761 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 470 | 11 | 5 | 6 | 5.3 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290982 | 111761 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 470 | 11 | 5 | 6 | 5.3 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 1369799 | 44214 | 8 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 5.2 | CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cccnc4o3)cc2)cc1 | nan | ||
| CHEMBL1519042 | 44214 | 8 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 5.2 | CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cccnc4o3)cc2)cc1 | nan | ||
| 135799865 | 186008 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 262 | 4 | 4 | 4 | 1.3 | CC(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4878555 | 186008 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 262 | 4 | 4 | 4 | 1.3 | CC(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| 24819471 | 30064 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 408 | 9 | 0 | 6 | 3.9 | CC(=O)c1ccc(OCc2cc(C(=O)N(C)CCOc3ccc(C)cc3)no2)cc1 | nan | ||
| CHEMBL1391134 | 30064 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 408 | 9 | 0 | 6 | 3.9 | CC(=O)c1ccc(OCc2cc(C(=O)N(C)CCOc3ccc(C)cc3)no2)cc1 | nan | ||
| 90666117 | 108863 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 744 | 20 | 6 | 9 | 7.6 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219050 | 108863 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 744 | 20 | 6 | 9 | 7.6 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 24817788 | 33266 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 407 | 7 | 1 | 7 | 3.2 | Cc1ccc(OCc2cc(C(=O)NCc3cnn(-c4cccc(F)c4)c3)no2)cn1 | nan | ||
| CHEMBL1420188 | 33266 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 407 | 7 | 1 | 7 | 3.2 | Cc1ccc(OCc2cc(C(=O)NCc3cnn(-c4cccc(F)c4)c3)no2)cn1 | nan | ||
| 1073012 | 33500 | 18 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 403 | 5 | 0 | 5 | 1.3 | CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL1422244 | 33500 | 18 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 403 | 5 | 0 | 5 | 1.3 | CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | ||
| 105 | 3405 | 84 | None | -8 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| 2083 | 3405 | 84 | None | -8 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| 558 | 3405 | 84 | None | -8 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL714 | 3405 | 84 | None | -8 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| DB01001 | 3405 | 84 | None | -8 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.04.135 | ||
| 90644149 | 111756 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 447 | 9 | 4 | 6 | 3.1 | OCc1cc(C(O)CNCCc2ccc(N3CCN(c4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290978 | 111756 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 447 | 9 | 4 | 6 | 3.1 | OCc1cc(C(O)CNCCc2ccc(N3CCN(c4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 90644154 | 111764 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc4ccccc34)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290985 | 111764 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc4ccccc34)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 90644140 | 111774 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 394 | 9 | 6 | 6 | 3.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290994 | 111774 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 394 | 9 | 6 | 6 | 3.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| 16736091 | 85305 | 0 | None | 251 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL228996 | 85305 | 0 | None | 251 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| 16736091 | 85305 | 0 | None | 251 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228996 | 85305 | 0 | None | 251 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| 2953239 | 31027 | 5 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 1.4 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1 | nan | ||
| CHEMBL1401186 | 31027 | 5 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 1.4 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1 | nan | ||
| 68057795 | 124683 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 804 | 17 | 6 | 10 | 6.0 | COc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645276 | 124683 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 804 | 17 | 6 | 10 | 6.0 | COc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548077 | 124727 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 880 | 17 | 6 | 10 | 7.4 | COc1ccc(CC(=O)Nc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645319 | 124727 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 880 | 17 | 6 | 10 | 7.4 | COc1ccc(CC(=O)Nc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548088 | 124747 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 836 | 16 | 6 | 9 | 6.6 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)Cc2cccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | nan | ||
| CHEMBL3645338 | 124747 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 836 | 16 | 6 | 9 | 6.6 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)Cc2cccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | nan | ||
| 59548072 | 124748 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 836 | 16 | 6 | 9 | 6.6 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)Cc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | nan | ||
| CHEMBL3645339 | 124748 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 836 | 16 | 6 | 9 | 6.6 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)Cc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | nan | ||
| 59548116 | 124757 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1C[C@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645347 | 124757 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CC(=O)NCc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1C[C@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548085 | 124759 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | CC(Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645349 | 124759 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 878 | 18 | 6 | 9 | 7.1 | CC(Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 319 | 1297 | 39 | None | -2 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| 321 | 1297 | 39 | None | -2 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| 444031 | 1297 | 39 | None | -2 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| 784 | 1297 | 39 | None | -2 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL1346 | 1297 | 39 | None | -2 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| DB00496 | 1297 | 39 | None | -2 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| 45269924 | 193777 | 0 | None | - | 1 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 283 | 6 | 5 | 6 | -0.1 | CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1 | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL552398 | 193777 | 0 | None | - | 1 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 283 | 6 | 5 | 6 | -0.1 | CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1 | 10.1016/j.ejmech.2008.12.016 | ||
| 54580129 | 61466 | 0 | None | 3 | 2 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 786 | 21 | 6 | 8 | 7.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773197 | 61466 | 0 | None | 3 | 2 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 786 | 21 | 6 | 8 | 7.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 44392534 | 64907 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 443 | 11 | 4 | 6 | 3.4 | C=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182689 | 64907 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 443 | 11 | 4 | 6 | 3.4 | C=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 156014385 | 177775 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1ccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4636080 | 177775 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1ccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651252 | 177775 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 356 | 7 | 4 | 5 | 2.3 | Cc1ccc(CCCNCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmc.2019.115178 | ||
| 156015552 | 177719 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 328 | 6 | 4 | 5 | 1.6 | O=C1COc2c(cc(O)cc2C(O)CNCCc2ccccc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4641339 | 177719 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 328 | 6 | 4 | 5 | 1.6 | O=C1COc2c(cc(O)cc2C(O)CNCCc2ccccc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4650961 | 177719 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 328 | 6 | 4 | 5 | 1.6 | O=C1COc2c(cc(O)cc2C(O)CNCCc2ccccc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| 44419254 | 82731 | 0 | None | 4 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 587 | 14 | 4 | 8 | 4.5 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL218210 | 82731 | 0 | None | 4 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 587 | 14 | 4 | 8 | 4.5 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| 53239456 | 61489 | 0 | None | 1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 705 | 19 | 5 | 7 | 7.8 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773267 | 61489 | 0 | None | 1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 705 | 19 | 5 | 7 | 7.8 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 53239456 | 61489 | 0 | None | 1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 705 | 19 | 5 | 7 | 7.8 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2015.10.008 | ||
| CHEMBL1773267 | 61489 | 0 | None | 1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 705 | 19 | 5 | 7 | 7.8 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2015.10.008 | ||
| 46232768 | 197953 | 0 | None | 14 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL592879 | 197953 | 0 | None | 14 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 356 | 6 | 4 | 5 | 2.4 | CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 56658244 | 66075 | 0 | None | -1 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814272 | 66075 | 0 | None | -1 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851849 | 66075 | 0 | None | -1 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| 10238776 | 66143 | 0 | None | -3 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835853 | 66143 | 0 | None | -3 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852214 | 66143 | 0 | None | -3 | 4 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 56675509 | 64165 | 0 | None | 79 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814270 | 64165 | 0 | None | 79 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 56658244 | 66075 | 0 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814272 | 66075 | 0 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851849 | 66075 | 0 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| 56670092 | 63773 | 0 | None | 112 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807874 | 63773 | 0 | None | 112 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 445 | 13 | 4 | 7 | 2.5 | CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 | 10.1016/j.bmcl.2011.05.097 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/ml4005232 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/ml4005232 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/ml4005232 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/ml4005232 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/ml4005232 | ||
| 145987415 | 166695 | 0 | None | 1258 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3cccc(Cl)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4292648 | 166695 | 0 | None | 1258 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3cccc(Cl)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 155540608 | 172369 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 493 | 11 | 5 | 5 | 4.9 | CC(CC(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)CC(C)(C)C | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4516838 | 172369 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 493 | 11 | 5 | 5 | 4.9 | CC(CC(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)CC(C)(C)C | 10.1016/j.bmc.2018.10.043 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 90645345 | 111987 | 0 | None | 11 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298692 | 111987 | 0 | None | 11 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 57400229 | 70045 | 0 | None | 5 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945298 | 70045 | 0 | None | 5 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57401435 | 70057 | 0 | None | 31 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945503 | 70057 | 0 | None | 31 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 42625898 | 184673 | 0 | None | 125 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 591 | 17 | 7 | 9 | 1.5 | NS(=O)(=O)O.NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL485847 | 184673 | 0 | None | 125 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 591 | 17 | 7 | 9 | 1.5 | NS(=O)(=O)O.NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 46832801 | 14089 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 16 | 4 | 6 | 3.6 | Cc1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL1084649 | 14089 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 16 | 4 | 6 | 3.6 | Cc1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL1198880 | 14089 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 16 | 4 | 6 | 3.6 | Cc1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
| 46832803 | 14090 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 451 | 16 | 4 | 6 | 4.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(Cl)cc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1084654 | 14090 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 451 | 16 | 4 | 6 | 4.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(Cl)cc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1198881 | 14090 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 451 | 16 | 4 | 6 | 4.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(Cl)cc2)ccc1O | 10.1021/jm100326d | ||
| 46832505 | 14120 | 0 | None | 12 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1085395 | 14120 | 0 | None | 12 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1199261 | 14120 | 0 | None | 12 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
| 59119467 | 111762 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290983 | 111762 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 90644139 | 111772 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 10 | 5 | 6 | 4.2 | CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290992 | 111772 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 10 | 5 | 6 | 4.2 | CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 59119410 | 111773 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 4.3 | CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290993 | 111773 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 4.3 | CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 57391347 | 69883 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 436 | 11 | 6 | 6 | 3.2 | Cc1ccc(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940825 | 69883 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 436 | 11 | 6 | 6 | 3.2 | Cc1ccc(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2011.11.072 | ||
| 44434117 | 89319 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 561 | 13 | 5 | 8 | 4.1 | CCn1c(C(=O)NCc2c(OC)cccc2OC)cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc21 | 10.1016/j.bmcl.2007.09.031 | ||
| CHEMBL237709 | 89319 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 561 | 13 | 5 | 8 | 4.1 | CCn1c(C(=O)NCc2c(OC)cccc2OC)cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc21 | 10.1016/j.bmcl.2007.09.031 | ||
| 10348864 | 58231 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 616 | 18 | 5 | 7 | 6.7 | O=CNc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683935 | 58231 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 616 | 18 | 5 | 7 | 6.7 | O=CNc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O | 10.1016/j.bmcl.2011.01.043 | ||
| 3083544 | 462 | 46 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| 4943 | 462 | 46 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| 7479 | 462 | 46 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL1363 | 462 | 46 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| DB01274 | 462 | 46 | None | 1 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| 16735272 | 85385 | 0 | None | 57 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL229614 | 85385 | 0 | None | 57 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 45483815 | 196765 | 0 | None | 11 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(C(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL577289 | 196765 | 0 | None | 11 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1ccc(C(=O)O)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 53380559 | 63310 | 0 | None | 4265 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800936 | 63310 | 0 | None | 4265 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 45375919 | 195336 | 0 | None | 87 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1cccc(C(=O)O)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL566973 | 195336 | 0 | None | 87 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1cccc(C(=O)O)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.10.013 | ||
| 164615990 | 184720 | 0 | None | 831 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 427 | 9 | 5 | 6 | 1.6 | CN(C)C(=O)CNc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4859326 | 184720 | 0 | None | 831 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 427 | 9 | 5 | 6 | 1.6 | CN(C)C(=O)CNc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2 | 10.1021/acs.jmedchem.0c01195 | ||
| 45375919 | 195336 | 0 | None | 87 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1cccc(C(=O)O)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL566973 | 195336 | 0 | None | 87 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 400 | 7 | 5 | 6 | 2.1 | CC(C)(Cc1cccc(C(=O)O)c1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 44396531 | 66501 | 0 | None | -38 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| CHEMBL186135 | 66501 | 0 | None | -38 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| 443372 | 10138 | 23 | None | -9 | 8 | Golden hamster | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm800613s | ||
| CHEMBL1160723 | 10138 | 23 | None | -9 | 8 | Golden hamster | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm800613s | ||
| CHEMBL2062275 | 10138 | 23 | None | -9 | 8 | Golden hamster | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm800613s | ||
| 45483830 | 195320 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 329 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL566777 | 195320 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 329 | 7 | 4 | 4 | 2.8 | Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| 90666115 | 108860 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 702 | 17 | 6 | 9 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219048 | 108860 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 702 | 17 | 6 | 9 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 9933039 | 162495 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL417613 | 162495 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45271517 | 193381 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203998 | 193381 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549487 | 193381 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45270690 | 193451 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203994 | 193451 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550037 | 193451 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44517694 | 193501 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203996 | 193501 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550445 | 193501 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| 44517696 | 194098 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204007 | 194098 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557705 | 194098 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44517692 | 194994 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203990 | 194994 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL564516 | 194994 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44331443 | 4383 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 689 | 14 | 7 | 9 | 2.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101674 | 4383 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 689 | 14 | 7 | 9 | 2.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 3931 | 2217 | 42 | None | -691 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | ||
| 9829836 | 2217 | 42 | None | -691 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | ||
| CHEMBL12998 | 2217 | 42 | None | -691 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | ||
| 10697841 | 162319 | 0 | None | 4 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 546 | 9 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N4CCC[C@H]4C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL417325 | 162319 | 0 | None | 4 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 546 | 9 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N4CCC[C@H]4C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 2297789 | 40471 | 7 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 469 | 11 | 2 | 6 | 4.8 | CCCCN(CCCC)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 | nan | ||
| CHEMBL1484690 | 40471 | 7 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 469 | 11 | 2 | 6 | 4.8 | CCCCN(CCCC)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 | nan | ||
| 1913590 | 19582 | 7 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 410 | 5 | 2 | 8 | 4.1 | CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCCCO)ncnc4c23)CO1 | nan | ||
| CHEMBL1301481 | 19582 | 7 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 410 | 5 | 2 | 8 | 4.1 | CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCCCO)ncnc4c23)CO1 | nan | ||
| 44610056 | 123473 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | 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 | ||
| 44331351 | 206400 | 0 | None | -645 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 610 | 13 | 6 | 8 | 2.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL98088 | 206400 | 0 | None | -645 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 610 | 13 | 6 | 8 | 2.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44428086 | 149547 | 0 | None | -7 | 2 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL395082 | 149547 | 0 | None | -7 | 2 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 2952777 | 192998 | 7 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 6.0 | CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 | nan | ||
| CHEMBL531401 | 192998 | 7 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 6.0 | CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 | nan | ||
| 666902 | 24780 | 9 | None | 213 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 451 | 8 | 1 | 7 | 5.3 | Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 | nan | ||
| CHEMBL1346316 | 24780 | 9 | None | 213 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 451 | 8 | 1 | 7 | 5.3 | Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 | nan | ||
| 893042 | 51657 | 11 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 331 | 5 | 1 | 6 | 2.3 | CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(N)cc1 | nan | ||
| CHEMBL1586182 | 51657 | 11 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 331 | 5 | 1 | 6 | 2.3 | CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(N)cc1 | nan | ||
| 90666116 | 108861 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 730 | 19 | 6 | 9 | 7.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219049 | 108861 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 730 | 19 | 6 | 9 | 7.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 59145957 | 123471 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 698 | 18 | 5 | 9 | 6.4 | O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCC(Cn4cnc(C(O)(c5ccccc5)C5CCCCC5)n4)CC3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| CHEMBL3629358 | 123471 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 698 | 18 | 5 | 9 | 6.4 | O=c1ccc2c([C@@H](O)CNCCCCCCCCCN3CCC(Cn4cnc(C(O)(c5ccccc5)C5CCCCC5)n4)CC3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| 44396532 | 66423 | 0 | None | -42 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185836 | 66423 | 0 | None | -42 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 9997789 | 185719 | 0 | None | 107 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4874511 | 185719 | 0 | None | 107 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL5192245 | 185719 | 0 | None | 107 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.0c01195 | ||
| 73057083 | 103798 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099658 | 103798 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 665098 | 19616 | 9 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 384 | 7 | 0 | 6 | 4.7 | CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1 | nan | ||
| CHEMBL1301877 | 19616 | 9 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 384 | 7 | 0 | 6 | 4.7 | CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1 | nan | ||
| 6407382 | 44922 | 4 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 527 | 4 | 1 | 6 | 5.8 | Cc1cccc(Nc2nnc(-c3ccc(C(=O)N4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)cc3)c3ccccc23)c1 | nan | ||
| CHEMBL1525540 | 44922 | 4 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 527 | 4 | 1 | 6 | 5.8 | Cc1cccc(Nc2nnc(-c3ccc(C(=O)N4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)cc3)c3ccccc23)c1 | nan | ||
| 1960 | 2815 | 64 | None | -436 | 13 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 439260 | 2815 | 64 | None | -436 | 13 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 505 | 2815 | 64 | None | -436 | 13 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL1437 | 2815 | 64 | None | -436 | 13 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00368 | 2815 | 64 | None | -436 | 13 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 16746244 | 48645 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 552 | 8 | 2 | 7 | 3.4 | NC(=O)CC(NC(=O)c1ccc(Br)cc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1559831 | 48645 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 552 | 8 | 2 | 7 | 3.4 | NC(=O)CC(NC(=O)c1ccc(Br)cc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 | nan | ||
| 2212788 | 27946 | 9 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 490 | 10 | 1 | 7 | 4.2 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1 | nan | ||
| CHEMBL1373386 | 27946 | 9 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 490 | 10 | 1 | 7 | 4.2 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1 | nan | ||
| 3145649 | 39234 | 9 | None | 177 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 395 | 4 | 0 | 4 | 4.7 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCC1 | nan | ||
| CHEMBL1472233 | 39234 | 9 | None | 177 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 395 | 4 | 0 | 4 | 4.7 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCC1 | nan | ||
| 3986625 | 42939 | 4 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 344 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)N2CCOCC2)cc1 | nan | ||
| CHEMBL1505690 | 42939 | 4 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 344 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)N2CCOCC2)cc1 | nan | ||
| 44396715 | 67112 | 0 | None | -20 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL189081 | 67112 | 0 | None | -20 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| 90666110 | 108853 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 718 | 18 | 6 | 9 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(F)c(O)cc3F)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219041 | 108853 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 718 | 18 | 6 | 9 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(F)c(O)cc3F)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 44428086 | 149547 | 0 | None | 7 | 2 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL395082 | 149547 | 0 | None | 7 | 2 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 1165076 | 39709 | 4 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 466 | 5 | 1 | 7 | 4.8 | Cc1ccc(Cn2ccc(NC(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)n2)cc1 | nan | ||
| CHEMBL1478198 | 39709 | 4 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 466 | 5 | 1 | 7 | 4.8 | Cc1ccc(Cn2ccc(NC(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)n2)cc1 | nan | ||
| 44428085 | 92829 | 0 | None | - | 1 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 399 | 9 | 4 | 8 | 2.6 | Cc1nonc1COc1ccc(CC(C)NCC(O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm0704595 | ||
| CHEMBL244906 | 92829 | 0 | None | - | 1 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 399 | 9 | 4 | 8 | 2.6 | Cc1nonc1COc1ccc(CC(C)NCC(O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm0704595 | ||
| 10221081 | 123581 | 1 | None | -186 | 3 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0704595 | ||
| CHEMBL363325 | 123581 | 1 | None | -186 | 3 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0704595 | ||
| 24789160 | 35131 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 501 | 12 | 3 | 6 | 2.9 | NC(=O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1437255 | 35131 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 501 | 12 | 3 | 6 | 2.9 | NC(=O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 | nan | ||
| 44428083 | 92129 | 0 | None | 4 | 2 | Guinea pig | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL243266 | 92129 | 0 | None | 4 | 2 | Guinea pig | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 3119289 | 47229 | 4 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 378 | 8 | 2 | 4 | 5.0 | CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 | nan | ||
| CHEMBL1545591 | 47229 | 4 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 378 | 8 | 2 | 4 | 5.0 | CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 | nan | ||
| 24789183 | 32651 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 552 | 8 | 2 | 7 | 3.4 | NC(=O)CC(NC(=O)c1cccc(Br)c1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1414874 | 32651 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 552 | 8 | 2 | 7 | 3.4 | NC(=O)CC(NC(=O)c1cccc(Br)c1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 | nan | ||
| 2234461 | 43527 | 9 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 432 | 7 | 1 | 6 | 2.7 | COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 | nan | ||
| CHEMBL1510834 | 43527 | 9 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 432 | 7 | 1 | 6 | 2.7 | COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 | nan | ||
| 16279412 | 59059 | 5 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 467 | 10 | 2 | 7 | 3.5 | CCOc1ccccc1C(=O)NCC(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1 | nan | ||
| CHEMBL1708092 | 59059 | 5 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 467 | 10 | 2 | 7 | 3.5 | CCOc1ccccc1C(=O)NCC(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1 | nan | ||
| 59707188 | 108858 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 734 | 18 | 6 | 9 | 7.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219046 | 108858 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 734 | 18 | 6 | 9 | 7.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 90666121 | 108867 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 742 | 18 | 6 | 9 | 7.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C3CCC2CC(OC(=O)Nc2ccccc2-c2ccc(O)c(Cl)c2)C3)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219054 | 108867 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 742 | 18 | 6 | 9 | 7.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C3CCC2CC(OC(=O)Nc2ccccc2-c2ccc(O)c(Cl)c2)C3)ccc1O | 10.1039/C1MD00140J | ||
| 11324939 | 94027 | 0 | None | -6 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25133 | 94027 | 0 | None | -6 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 659759 | 47007 | 10 | None | 14 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 3.0 | CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| CHEMBL1543973 | 47007 | 10 | None | 14 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 3.0 | CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| 1854978 | 37480 | 8 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 5.5 | CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 | nan | ||
| CHEMBL1457704 | 37480 | 8 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 5.5 | CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 | nan | ||
| 44428086 | 149547 | 0 | None | 7 | 2 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL395082 | 149547 | 0 | None | 7 | 2 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 10221081 | 123581 | 1 | None | -186 | 3 | Guinea pig | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0704595 | ||
| CHEMBL363325 | 123581 | 1 | None | -186 | 3 | Guinea pig | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0704595 | ||
| 10028830 | 2215 | 33 | None | -1949 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 3932 | 2215 | 33 | None | -1949 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4238084 | 2215 | 33 | None | -1949 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 141286040 | 192400 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 290 | 4 | 3 | 3 | 2.2 | CC(C)NC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5203966 | 192400 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 290 | 4 | 3 | 3 | 2.2 | CC(C)NC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222714 | 192400 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 290 | 4 | 3 | 3 | 2.2 | CC(C)NC(CO)c1cc(F)c(N)c(Br)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 102139105 | 185749 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 392 | 10 | 5 | 7 | 2.5 | COc1cc(CCC(O)CC(O)CCc2cc(O)c(O)c(OC)c2)ccc1O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4874899 | 185749 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 392 | 10 | 5 | 7 | 2.5 | COc1cc(CCC(O)CC(O)CCc2cc(O)c(O)c(OC)c2)ccc1O | 10.1021/acs.jmedchem.0c01195 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 90666118 | 108864 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 702 | 18 | 6 | 9 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CC[C@@H](OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219051 | 108864 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 702 | 18 | 6 | 9 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CC[C@@H](OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O | 10.1039/C1MD00140J | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 3038500 | 9250 | 8 | None | -575 | 6 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL111201 | 9250 | 8 | None | -575 | 6 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| 44428083 | 92129 | 0 | None | 4 | 2 | Guinea pig | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL243266 | 92129 | 0 | None | 4 | 2 | Guinea pig | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 444 | 10 | 5 | 9 | 0.7 | CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 3145657 | 36452 | 13 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 381 | 4 | 0 | 4 | 4.3 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCC1 | nan | ||
| CHEMBL1449091 | 36452 | 13 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 381 | 4 | 0 | 4 | 4.3 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCC1 | nan | ||
| 652434 | 53817 | 5 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 399 | 6 | 1 | 8 | 3.7 | CCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1 | nan | ||
| CHEMBL1606638 | 53817 | 5 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 399 | 6 | 1 | 8 | 3.7 | CCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1 | nan | ||
| 44142358 | 21468 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 0 | 1 | 3 | 3.9 | Nc1cccc(C#Cc2ccc3c(=O)c4ccccc4oc3c2)c1 | nan | ||
| CHEMBL1318214 | 21468 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 0 | 1 | 3 | 3.9 | Nc1cccc(C#Cc2ccc3c(=O)c4ccccc4oc3c2)c1 | nan | ||
| 5182299 | 24729 | 9 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 457 | 5 | 1 | 4 | 4.5 | O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1c(F)cccc1F | nan | ||
| CHEMBL1345891 | 24729 | 9 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 457 | 5 | 1 | 4 | 4.5 | O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1c(F)cccc1F | nan | ||
| 20959170 | 28570 | 5 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 382 | 5 | 0 | 4 | 4.7 | Cc1ccc(N(C)S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1 | nan | ||
| CHEMBL1378598 | 28570 | 5 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 382 | 5 | 0 | 4 | 4.7 | Cc1ccc(N(C)S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1 | nan | ||
| 9927453 | 96239 | 0 | None | -18 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL26393 | 96239 | 0 | None | -18 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | ||
| 46221398 | 8616 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 448 | 10 | 4 | 4 | 4.7 | CCCCc1cc2c(cc1CCCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1095779 | 8616 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 448 | 10 | 4 | 4 | 4.7 | CCCCc1cc2c(cc1CCCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 9927453 | 96239 | 0 | None | -18 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL26393 | 96239 | 0 | None | -18 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 90644142 | 111749 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 365 | 7 | 4 | 4 | 2.5 | OCc1cc(C(O)CNCCc2ccc(Br)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290971 | 111749 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 365 | 7 | 4 | 4 | 2.5 | OCc1cc(C(O)CNCCc2ccc(Br)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 105 | 3405 | 84 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| 2083 | 3405 | 84 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| 558 | 3405 | 84 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL714 | 3405 | 84 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| DB01001 | 3405 | 84 | None | -8 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| 3366873 | 24136 | 6 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 410 | 10 | 3 | 6 | 4.2 | COc1ccc(CNC(=O)CCCCCNc2nc(S)nc3ccccc23)cc1 | nan | ||
| CHEMBL1340869 | 24136 | 6 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 410 | 10 | 3 | 6 | 4.2 | COc1ccc(CNC(=O)CCCCCNc2nc(S)nc3ccccc23)cc1 | nan | ||
| 24180436 | 92785 | 0 | None | -1 | 2 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244687 | 92785 | 0 | None | -1 | 2 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 105 | 3405 | 84 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| 2083 | 3405 | 84 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| 558 | 3405 | 84 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL714 | 3405 | 84 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| DB01001 | 3405 | 84 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.0c01195 | ||
| 145989107 | 166576 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 424 | 13 | 4 | 5 | 3.7 | O=c1ccc2c(C(CO)NCCCCOCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4290441 | 166576 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 424 | 13 | 4 | 5 | 3.7 | O=c1ccc2c(C(CO)NCCCCOCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 11038599 | 47604 | 0 | None | -15 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 516 | 11 | 5 | 6 | 3.7 | C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154906 | 47604 | 0 | None | -15 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 516 | 11 | 5 | 6 | 3.7 | C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 9801145 | 92989 | 0 | None | -316 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 400 | 9 | 4 | 5 | 4.0 | O=C(O)c1ccoc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245874 | 92989 | 0 | None | -316 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 400 | 9 | 4 | 5 | 4.0 | O=C(O)c1ccoc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 46832227 | 14082 | 1 | None | 5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 327 | 13 | 5 | 6 | 1.1 | OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm100326d | ||
| CHEMBL1083884 | 14082 | 1 | None | 5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 327 | 13 | 5 | 6 | 1.1 | OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm100326d | ||
| CHEMBL1198851 | 14082 | 1 | None | 5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 327 | 13 | 5 | 6 | 1.1 | OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm100326d | ||
| 42625743 | 12493 | 0 | None | -12 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186943 | 12493 | 0 | None | -12 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483407 | 12493 | 0 | None | -12 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 2816345 | 29108 | 5 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 4 | 1 | 7 | 5.2 | Cc1cc(C)c2c(N)c(-c3nnc(SCc4ccc(Cl)cc4)n3C)sc2n1 | nan | ||
| CHEMBL1383213 | 29108 | 5 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 4 | 1 | 7 | 5.2 | Cc1cc(C)c2c(N)c(-c3nnc(SCc4ccc(Cl)cc4)n3C)sc2n1 | nan | ||
| 4384568 | 162553 | 8 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 438 | 6 | 0 | 4 | 3.4 | O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | nan | ||
| CHEMBL417709 | 162553 | 8 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 438 | 6 | 0 | 4 | 3.4 | O=C1C2CCCCN2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | nan | ||
| 1481480 | 24064 | 12 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 484 | 8 | 0 | 7 | 4.9 | CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3cccc4ccccc34)n2)cc1)c1ccccn1 | nan | ||
| CHEMBL1340208 | 24064 | 12 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 484 | 8 | 0 | 7 | 4.9 | CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3cccc4ccccc34)n2)cc1)c1ccccn1 | nan | ||
| 8441531 | 45192 | 6 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 394 | 8 | 2 | 4 | 5.4 | CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 | nan | ||
| CHEMBL1527861 | 45192 | 6 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 394 | 8 | 2 | 4 | 5.4 | CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 | nan | ||
| 24794188 | 33498 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 446 | 5 | 0 | 3 | 5.4 | O=C(c1ccc(OC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1)N1CCCCC1 | nan | ||
| CHEMBL1422222 | 33498 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 446 | 5 | 0 | 3 | 5.4 | O=C(c1ccc(OC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1)N1CCCCC1 | nan | ||
| 44396530 | 66753 | 0 | None | -23 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| CHEMBL187317 | 66753 | 0 | None | -23 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| 76333795 | 84891 | 0 | None | -56 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 558 | 11 | 5 | 8 | 3.1 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL2260985 | 84891 | 0 | None | -56 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 558 | 11 | 5 | 8 | 3.1 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1007/s00044-009-9257-x | ||
| 90666102 | 108845 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 682 | 18 | 6 | 9 | 6.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)cc3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219032 | 108845 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 682 | 18 | 6 | 9 | 6.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)cc3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 59707195 | 108852 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 700 | 18 | 6 | 9 | 6.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(F)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219040 | 108852 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 700 | 18 | 6 | 9 | 6.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(F)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 1362375 | 22785 | 14 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 6 | 2 | 5 | 4.8 | CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 | nan | ||
| CHEMBL1329712 | 22785 | 14 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 6 | 2 | 5 | 4.8 | CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 | nan | ||
| 127046951 | 139372 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3799427 | 139372 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 659759 | 47007 | 10 | None | 14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 3.0 | CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| CHEMBL1543973 | 47007 | 10 | None | 14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 359 | 4 | 1 | 4 | 3.0 | CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| 4508 | 3090 | 91 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | nan | ||
| 4866774 | 3090 | 91 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | nan | ||
| 509 | 3090 | 91 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | nan | ||
| 838 | 3090 | 91 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL1740 | 3090 | 91 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | nan | ||
| 73056755 | 103801 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099661 | 103801 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 2803618 | 58978 | 6 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 4.8 | COc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1Cl | nan | ||
| CHEMBL1704973 | 58978 | 6 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 324 | 5 | 0 | 3 | 4.8 | COc1ccc(C(C)=O)cc1COc1ccc(Cl)cc1Cl | nan | ||
| 105 | 3405 | 84 | None | 3 | 3 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| 2083 | 3405 | 84 | None | 3 | 3 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| 558 | 3405 | 84 | None | 3 | 3 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL714 | 3405 | 84 | None | 3 | 3 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| DB01001 | 3405 | 84 | None | 3 | 3 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| 49837874 | 54669 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL1615159 | 54669 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2 | 10.1021/acs.jmedchem.0c01195 | ||
| 44219641 | 177864 | 0 | None | 3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466088 | 177864 | 0 | None | 3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| 22422248 | 21970 | 1 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 452 | 5 | 0 | 4 | 3.6 | CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N(C)c3ccc(OC)cc3)c21 | nan | ||
| CHEMBL1322514 | 21970 | 1 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 452 | 5 | 0 | 4 | 3.6 | CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N(C)c3ccc(OC)cc3)c21 | nan | ||
| 10575455 | 99516 | 0 | None | -13 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 448 | 8 | 5 | 7 | 1.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL286574 | 99516 | 0 | None | -13 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 448 | 8 | 5 | 7 | 1.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 44313150 | 103301 | 0 | None | -3 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL308868 | 103301 | 0 | None | -3 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 2964893 | 49809 | 8 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 374 | 5 | 0 | 5 | 1.1 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1 | nan | ||
| CHEMBL1569866 | 49809 | 8 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 374 | 5 | 0 | 5 | 1.1 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1 | nan | ||
| 123600 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 123600 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 3104427 | 16921 | 8 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1 | nan | ||
| CHEMBL125497 | 16921 | 8 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1 | nan | ||
| CHEMBL1461759 | 16921 | 8 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1 | nan | ||
| 160510 | 100658 | 36 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 184 | 0 | 1 | 1 | 2.5 | CC1=NCCc2c1[nH]c1ccccc21 | nan | ||
| CHEMBL1506260 | 100658 | 36 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 184 | 0 | 1 | 1 | 2.5 | CC1=NCCc2c1[nH]c1ccccc21 | nan | ||
| CHEMBL295234 | 100658 | 36 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 184 | 0 | 1 | 1 | 2.5 | CC1=NCCc2c1[nH]c1ccccc21 | nan | ||
| 2234461 | 43527 | 9 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 7 | 1 | 6 | 2.7 | COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 | nan | ||
| CHEMBL1510834 | 43527 | 9 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 7 | 1 | 6 | 2.7 | COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 | nan | ||
| 145982607 | 165167 | 0 | None | -32 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 12 | 3 | 4 | 4.0 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4245968 | 165167 | 0 | None | -32 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 12 | 3 | 4 | 4.0 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 5307895 | 49858 | 7 | None | 9 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 441 | 8 | 1 | 8 | 2.9 | COc1ccc(OC)c(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c1 | nan | ||
| CHEMBL1570251 | 49858 | 7 | None | 9 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 441 | 8 | 1 | 8 | 2.9 | COc1ccc(OC)c(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c1 | nan | ||
| 44396596 | 122784 | 0 | None | -25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| CHEMBL361505 | 122784 | 0 | None | -25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| 44428081 | 92702 | 0 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 428 | 10 | 5 | 9 | 1.4 | CC(Cc1ccc(OCc2nonc2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244321 | 92702 | 0 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 428 | 10 | 5 | 9 | 1.4 | CC(Cc1ccc(OCc2nonc2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 2816338 | 46305 | 5 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 425 | 6 | 1 | 7 | 5.4 | C=CCn1c(SCc2ccc(F)cc2)nnc1-c1sc2nc(C)cc(C)c2c1N | nan | ||
| CHEMBL1538061 | 46305 | 5 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 425 | 6 | 1 | 7 | 5.4 | C=CCn1c(SCc2ccc(F)cc2)nnc1-c1sc2nc(C)cc(C)c2c1N | nan | ||
| 567 | 716 | 10 | None | -83 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | ||
| 9841972 | 716 | 10 | None | -83 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | ||
| CHEMBL284782 | 716 | 10 | None | -83 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | ||
| 44565931 | 12339 | 0 | None | -9549 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186040 | 12339 | 0 | None | -9549 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL446806 | 12339 | 0 | None | -9549 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 567 | 716 | 10 | None | -83 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| 9841972 | 716 | 10 | None | -83 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL284782 | 716 | 10 | None | -83 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| 24180436 | 92785 | 0 | None | -1 | 2 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244687 | 92785 | 0 | None | -1 | 2 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 145982668 | 165361 | 0 | None | -38 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 418 | 11 | 3 | 4 | 4.1 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4250215 | 165361 | 0 | None | -38 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 418 | 11 | 3 | 4 | 4.1 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 168286800 | 192328 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 380 | 4 | 3 | 3 | 4.0 | Nc1c(Br)cc(C(CO)NC2CCCCC2)cc1C(F)(F)F | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5197382 | 192328 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 380 | 4 | 3 | 3 | 4.0 | Nc1c(Br)cc(C(CO)NC2CCCCC2)cc1C(F)(F)F | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222266 | 192328 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 380 | 4 | 3 | 3 | 4.0 | Nc1c(Br)cc(C(CO)NC2CCCCC2)cc1C(F)(F)F | 10.1021/acs.jmedchem.1c02006 | ||
| 3904428 | 20251 | 8 | None | 4 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 342 | 4 | 1 | 2 | 4.8 | Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)N2CCCCC2)cc1 | nan | ||
| CHEMBL1306990 | 20251 | 8 | None | 4 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 342 | 4 | 1 | 2 | 4.8 | Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)N2CCCCC2)cc1 | nan | ||
| 443372 | 10138 | 23 | None | -1 | 8 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| CHEMBL1160723 | 10138 | 23 | None | -1 | 8 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| CHEMBL2062275 | 10138 | 23 | None | -1 | 8 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| 70843740 | 124720 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 864 | 16 | 6 | 9 | 7.5 | Cc1ccc(C(=O)NCc2ccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645312 | 124720 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 864 | 16 | 6 | 9 | 7.5 | Cc1ccc(C(=O)NCc2ccc(CC(C)NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 59548073 | 124733 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 822 | 15 | 6 | 9 | 7.0 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 | nan | ||
| CHEMBL3645324 | 124733 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 822 | 15 | 6 | 9 | 7.0 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 | nan | ||
| 59548112 | 124734 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 850 | 15 | 6 | 9 | 7.6 | Cc1cc(NC(=O)Cc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645325 | 124734 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 850 | 15 | 6 | 9 | 7.6 | Cc1cc(NC(=O)Cc2cccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 59548133 | 124768 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 850 | 17 | 6 | 9 | 7.0 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)CCc2cccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | nan | ||
| CHEMBL3645358 | 124768 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 850 | 17 | 6 | 9 | 7.0 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(CNC(=O)CCc2cccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 | nan | ||
| 59548071 | 124772 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 774 | 16 | 6 | 9 | 6.0 | CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| CHEMBL3645362 | 124772 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 774 | 16 | 6 | 9 | 6.0 | CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | nan | ||
| 44396779 | 66726 | 0 | None | -17 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL187209 | 66726 | 0 | None | -17 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 11810896 | 118977 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 375 | 9 | 4 | 4 | 3.1 | CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL345304 | 118977 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 375 | 9 | 4 | 4 | 3.1 | CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm0101500 | ||
| 24901283 | 70039 | 0 | None | 2 | 5 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945292 | 70039 | 0 | None | 2 | 5 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 16049162 | 63761 | 0 | None | 31 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(C(F)(F)F)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807826 | 63761 | 0 | None | 31 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 515 | 13 | 5 | 7 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(C(F)(F)F)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 145991661 | 166208 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c(C(CO)NCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4283676 | 166208 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c(C(CO)NCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 56943515 | 111952 | 0 | None | 7 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298213 | 111952 | 0 | None | 7 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943485 | 112011 | 0 | None | 12 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298831 | 112011 | 0 | None | 12 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24900811 | 70021 | 0 | None | 5 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945040 | 70021 | 0 | None | 5 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900751 | 70037 | 0 | None | 3 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945290 | 70037 | 0 | None | 3 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900749 | 70038 | 0 | None | 22 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945291 | 70038 | 0 | None | 22 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 44237720 | 57930 | 0 | None | 91 | 2 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 530 | 9 | 6 | 5 | 4.4 | O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| CHEMBL1682220 | 57930 | 0 | None | 91 | 2 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 530 | 9 | 6 | 5 | 4.4 | O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 | 10.1016/j.bmcl.2010.12.096 | ||
| 53319788 | 58234 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 624 | 17 | 5 | 6 | 5.4 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683939 | 58234 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 624 | 17 | 5 | 6 | 5.4 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1 | 10.1016/j.bmcl.2011.01.043 | ||
| 11567751 | 199075 | 0 | None | 29 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 374 | 6 | 4 | 5 | 2.5 | CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600401 | 199075 | 0 | None | 29 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 374 | 6 | 4 | 5 | 2.5 | CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 46232856 | 199658 | 0 | None | 128 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL604333 | 199658 | 0 | None | 128 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 424 | 6 | 4 | 5 | 3.4 | CC(C)(Cc1cccc(C(F)(F)F)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 5581 | 101188 | 10 | None | -2 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL299175 | 101188 | 10 | None | -2 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 24764458 | 108854 | 2 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 716 | 18 | 6 | 9 | 6.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219042 | 108854 | 2 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 716 | 18 | 6 | 9 | 6.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 122194235 | 123466 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 690 | 16 | 6 | 8 | 7.3 | O=C(Nc1ccccc1-c1ccc(O)c(Cl)c1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2015.10.008 | ||
| CHEMBL3629353 | 123466 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 690 | 16 | 6 | 8 | 7.3 | O=C(Nc1ccccc1-c1ccc(O)c(Cl)c1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2015.10.008 | ||
| 53380558 | 63317 | 2 | None | 4 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800963 | 63317 | 2 | None | 4 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| 10202462 | 69889 | 0 | None | 223 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940831 | 69889 | 0 | None | 223 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc([C@@H](O)CNCCc2ccc(NC[C@@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 16049158 | 63759 | 0 | None | 12 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 475 | 14 | 5 | 7 | 3.4 | CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807824 | 63759 | 0 | None | 12 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 475 | 14 | 5 | 7 | 3.4 | CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.05.097 | ||
| 16049361 | 110770 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 544 | 17 | 4 | 8 | 2.7 | CCN(CC)CCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| CHEMBL3265158 | 110770 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 544 | 17 | 4 | 8 | 2.7 | CCN(CC)CCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| 16049363 | 110771 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 578 | 17 | 4 | 8 | 3.4 | CCN(CC)CCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1 | 10.1021/ml4005232 | ||
| CHEMBL3265159 | 110771 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 578 | 17 | 4 | 8 | 3.4 | CCN(CC)CCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1 | 10.1021/ml4005232 | ||
| 118737357 | 118559 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 703 | 12 | 5 | 8 | 6.1 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 10.1021/jm501915g | ||
| CHEMBL3426705 | 118559 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 703 | 12 | 5 | 8 | 6.1 | Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 10.1021/jm501915g | ||
| 145990793 | 166246 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 9 | 5 | 5 | 3.3 | O=C(Cc1ccccc1)Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4284345 | 166246 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 9 | 5 | 5 | 3.3 | O=C(Cc1ccccc1)Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| 57398768 | 70156 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 459 | 10 | 4 | 5 | 4.3 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(CN[C@H]4C[C@@H]4c4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946765 | 70156 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 459 | 10 | 4 | 5 | 4.3 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(CN[C@H]4C[C@@H]4c4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57403815 | 70193 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 539 | 11 | 5 | 6 | 5.7 | C[C@@H](NCc1ccccc1-c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947155 | 70193 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 539 | 11 | 5 | 6 | 5.7 | C[C@@H](NCc1ccccc1-c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 10128077 | 111777 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290997 | 111777 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 10287658 | 111763 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290984 | 111763 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 45269866 | 193624 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL2448072 | 193624 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL551389 | 193624 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45273276 | 194011 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204005 | 194011 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL556689 | 194011 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45273280 | 194046 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204006 | 194046 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557095 | 194046 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45268128 | 194648 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203988 | 194648 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL562315 | 194648 | 0 | None | 1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45268136 | 194711 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203989 | 194711 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL562669 | 194711 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| 10283146 | 106789 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL317003 | 106789 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44331346 | 206648 | 0 | None | -5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL99599 | 206648 | 0 | None | -5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| 44331302 | 206587 | 0 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 667 | 12 | 6 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL99219 | 206587 | 0 | None | -6 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 667 | 12 | 6 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44268267 | 18254 | 0 | None | 199 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12719 | 18254 | 0 | None | 199 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 1960 | 2815 | 64 | None | -436 | 13 | Guinea pig | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 439260 | 2815 | 64 | None | -436 | 13 | Guinea pig | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 505 | 2815 | 64 | None | -436 | 13 | Guinea pig | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL1437 | 2815 | 64 | None | -436 | 13 | Guinea pig | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00368 | 2815 | 64 | None | -436 | 13 | Guinea pig | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 22554040 | 20120 | 4 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 441 | 4 | 1 | 5 | 3.7 | CC1=C(C(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)SCCO1 | nan | ||
| CHEMBL1305925 | 20120 | 4 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 441 | 4 | 1 | 5 | 3.7 | CC1=C(C(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)SCCO1 | nan | ||
| 24790337 | 22558 | 5 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 417 | 7 | 0 | 7 | 3.7 | Cc1ccc(OCc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4C)c3)no2)cn1 | nan | ||
| CHEMBL1327806 | 22558 | 5 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 417 | 7 | 0 | 7 | 3.7 | Cc1ccc(OCc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4C)c3)no2)cn1 | nan | ||
| 1094286 | 50564 | 15 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 4.2 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 | nan | ||
| CHEMBL1577023 | 50564 | 15 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 4.2 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 | nan | ||
| 11060184 | 119225 | 0 | None | -39 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 11 | 4 | 6 | 3.5 | C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL347616 | 119225 | 0 | None | -39 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 501 | 11 | 4 | 6 | 3.5 | C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 1499 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.01.013 | ||
| 3779 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.01.013 | ||
| 536 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.01.013 | ||
| CHEMBL434 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.01.013 | ||
| DB01064 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.01.013 | ||
| 57395043 | 70048 | 0 | None | 3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 12 | 5 | 5 | 3.1 | OCc1cc([C@@H](O)CNCCc2ccc(CNCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945300 | 70048 | 0 | None | 3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 12 | 5 | 5 | 3.1 | OCc1cc([C@@H](O)CNCCc2ccc(CNCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.10.049 | ||
| 10347461 | 105799 | 0 | None | 12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | ||
| CHEMBL3126384 | 105799 | 0 | None | 12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | ||
| CHEMBL3139025 | 105799 | 0 | None | 12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | ||
| 90644141 | 111775 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 9 | 5 | 5 | 3.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290995 | 111775 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 9 | 5 | 5 | 3.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 168290228 | 192365 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 3 | 5 | 1.6 | CC(C)(C)NC(CO)c1ccc(N)c([N+](=O)[O-])c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5201031 | 192365 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 3 | 5 | 1.6 | CC(C)(C)NC(CO)c1ccc(N)c([N+](=O)[O-])c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222490 | 192365 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 253 | 4 | 3 | 5 | 1.6 | CC(C)(C)NC(CO)c1ccc(N)c([N+](=O)[O-])c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 653846 | 38329 | 10 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 301 | 3 | 1 | 6 | 2.8 | CCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C | nan | ||
| CHEMBL1464795 | 38329 | 10 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 301 | 3 | 1 | 6 | 2.8 | CCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C | nan | ||
| 1371669 | 37356 | 10 | None | 64 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 373 | 5 | 1 | 5 | 4.5 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1 | nan | ||
| CHEMBL1456621 | 37356 | 10 | None | 64 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 373 | 5 | 1 | 5 | 4.5 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1 | nan | ||
| 44441233 | 147524 | 0 | None | -79 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL393471 | 147524 | 0 | None | -79 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 90655864 | 110773 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 486 | 15 | 4 | 7 | 2.3 | NCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| CHEMBL3265161 | 110773 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 486 | 15 | 4 | 7 | 2.3 | NCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| 145985170 | 165846 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 423 | 10 | 5 | 5 | 3.2 | CCCCC(=O)Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4276877 | 165846 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 423 | 10 | 5 | 5 | 3.2 | CCCCC(=O)Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| 122680878 | 165996 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2c(cc1CC)CC(NC(CO)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4279466 | 165996 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2c(cc1CC)CC(NC(CO)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.ejmech.2018.04.041 | ||
| 141465530 | 166014 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 363 | 6 | 5 | 4 | 2.6 | O=c1ccc2c(C(CO)NCCc3c[nH]c4ccccc34)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4279788 | 166014 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 363 | 6 | 5 | 4 | 2.6 | O=c1ccc2c(C(CO)NCCc3c[nH]c4ccccc34)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 57393524 | 70157 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 538 | 12 | 3 | 6 | 5.8 | CCN(Cc1ccncc1)Cc1cccc(-c2ccc(CCNCCc3ccc(O)c4[nH]c(=O)sc34)cc2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946766 | 70157 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 538 | 12 | 3 | 6 | 5.8 | CCN(Cc1ccncc1)Cc1cccc(-c2ccc(CCNCCc3ccc(O)c4[nH]c(=O)sc34)cc2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 10940242 | 164646 | 0 | None | -31 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 515 | 12 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL422876 | 164646 | 0 | None | -31 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 515 | 12 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 11002571 | 47835 | 0 | None | -5 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 348 | 8 | 4 | 4 | 3.2 | C[C@H](CNc1ccc(C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL155092 | 47835 | 0 | None | -5 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 348 | 8 | 4 | 4 | 3.2 | C[C@H](CNc1ccc(C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 2598 | 3719 | 52 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2011.04.135 | ||
| 5403 | 3719 | 52 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2011.04.135 | ||
| 560 | 3719 | 52 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1760 | 3719 | 52 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2011.04.135 | ||
| DB00871 | 3719 | 52 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2011.04.135 | ||
| 168288640 | 192342 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 354 | 6 | 3 | 3 | 3.5 | CCCCNC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5190961 | 192342 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 354 | 6 | 3 | 3 | 3.5 | CCCCNC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222387 | 192342 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 354 | 6 | 3 | 3 | 3.5 | CCCCNC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 76315640 | 84894 | 0 | None | -7 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 575 | 12 | 3 | 7 | 5.8 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 | 10.1007/s00044-009-9257-x | ||
| CHEMBL2260988 | 84894 | 0 | None | -7 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 575 | 12 | 3 | 7 | 5.8 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 | 10.1007/s00044-009-9257-x | ||
| 25023950 | 176378 | 0 | None | - | 1 | Golden hamster | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 517 | 13 | 8 | 13 | -0.8 | O=CNc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| CHEMBL462273 | 176378 | 0 | None | - | 1 | Golden hamster | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 517 | 13 | 8 | 13 | -0.8 | O=CNc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| 4611324 | 21571 | 8 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 401 | 7 | 1 | 4 | 4.1 | CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| CHEMBL1319108 | 21571 | 8 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 401 | 7 | 1 | 4 | 4.1 | CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| 24180436 | 92785 | 0 | None | -1 | 2 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244687 | 92785 | 0 | None | -1 | 2 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 139368780 | 184650 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 611 | 12 | 2 | 6 | 5.4 | COc1ccc(Sc2ccc(S(=O)(=O)N(C)C(C)C)cc2C(=O)N[C@@H](CC(N)=O)Cc2ccc(C(C)(C)C)cc2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4858076 | 184650 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 611 | 12 | 2 | 6 | 5.4 | COc1ccc(Sc2ccc(S(=O)(=O)N(C)C(C)C)cc2C(=O)N[C@@H](CC(N)=O)Cc2ccc(C(C)(C)C)cc2)cc1 | 10.1021/acs.jmedchem.0c01195 | ||
| 16222940 | 185892 | 0 | None | -47863 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL487682 | 185892 | 0 | None | -47863 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44591507 | 178779 | 0 | None | -47863 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL473702 | 178779 | 0 | None | -47863 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 10626150 | 99564 | 0 | None | -208 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 534 | 11 | 5 | 9 | 1.3 | CCOC(=O)CNC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| CHEMBL286868 | 99564 | 0 | None | -208 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 534 | 11 | 5 | 9 | 1.3 | CCOC(=O)CNC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| 145990515 | 166476 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c([C@H](CO)NCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4288610 | 166476 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c([C@H](CO)NCCc3ccc(O)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 16735259 | 85221 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228417 | 85221 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 11270071 | 98533 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL279931 | 98533 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | ||
| 11270071 | 98533 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL279931 | 98533 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 2839830 | 49790 | 9 | None | 9 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 287 | 4 | 0 | 2 | 3.9 | CC(C)=CCC(C)(C)C1OCCN1C(=O)c1ccccc1 | nan | ||
| CHEMBL1569630 | 49790 | 9 | None | 9 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 287 | 4 | 0 | 2 | 3.9 | CC(C)=CCC(C)(C)C1OCCN1C(=O)c1ccccc1 | nan | ||
| 663855 | 32685 | 8 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 440 | 5 | 1 | 9 | 2.3 | c1nc(NCCN2CCOCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCC4 | nan | ||
| CHEMBL1415227 | 32685 | 8 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 440 | 5 | 1 | 9 | 2.3 | c1nc(NCCN2CCOCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCC4 | nan | ||
| 12989000 | 192340 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 340 | 4 | 3 | 3 | 3.1 | CC(C)NC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5192613 | 192340 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 340 | 4 | 3 | 3 | 3.1 | CC(C)NC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222371 | 192340 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 340 | 4 | 3 | 3 | 3.1 | CC(C)NC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 24820094 | 59402 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 5.1 | Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)s1 | nan | ||
| CHEMBL1723653 | 59402 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 5.1 | Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)s1 | nan | ||
| 4312580 | 39922 | 7 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 436 | 5 | 1 | 7 | 2.8 | Cc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)nc2n1 | nan | ||
| CHEMBL1479957 | 39922 | 7 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 436 | 5 | 1 | 7 | 2.8 | Cc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)nc2n1 | nan | ||
| 9853471 | 203146 | 0 | None | -177 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL75604 | 203146 | 0 | None | -177 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 3167769 | 23801 | 5 | None | 28 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 531 | 6 | 0 | 8 | 6.6 | O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)N1c2ccccc2Sc2ccc(Cl)cc21 | nan | ||
| CHEMBL1337858 | 23801 | 5 | None | 28 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 531 | 6 | 0 | 8 | 6.6 | O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)N1c2ccccc2Sc2ccc(Cl)cc21 | nan | ||
| 21044607 | 192338 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 340 | 8 | 3 | 4 | 3.0 | CCOCCCNC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5191729 | 192338 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 340 | 8 | 3 | 4 | 3.0 | CCOCCCNC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222365 | 192338 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 340 | 8 | 3 | 4 | 3.0 | CCOCCCNC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 24794116 | 66755 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.7 | CSc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 | nan | ||
| CHEMBL1873201 | 66755 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 4.7 | CSc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 | nan | ||
| 44444173 | 93547 | 0 | None | -5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 516 | 11 | 4 | 7 | 3.3 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL248547 | 93547 | 0 | None | -5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 516 | 11 | 4 | 7 | 3.3 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 2977891 | 21603 | 8 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 452 | 5 | 0 | 5 | 1.8 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Br)cc1 | nan | ||
| CHEMBL1319376 | 21603 | 8 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 452 | 5 | 0 | 5 | 1.8 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Br)cc1 | nan | ||
| 1716469 | 59541 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 393 | 8 | 1 | 6 | 3.2 | CCOC(=O)c1cn(C2CC2)c2c(F)c(NCCCN(C)C)c(F)cc2c1=O | nan | ||
| CHEMBL1728955 | 59541 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 393 | 8 | 1 | 6 | 3.2 | CCOC(=O)c1cn(C2CC2)c2c(F)c(NCCCN(C)C)c(F)cc2c1=O | nan | ||
| 9804536 | 165144 | 0 | None | -169 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4245391 | 165144 | 0 | None | -169 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 135799890 | 185205 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 304 | 8 | 4 | 4 | 2.4 | CCCCCCNC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4866730 | 185205 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 304 | 8 | 4 | 4 | 2.4 | CCCCCCNC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| 3164412 | 52888 | 9 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 408 | 5 | 0 | 5 | 1.7 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1598434 | 52888 | 9 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 408 | 5 | 0 | 5 | 1.7 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 | nan | ||
| 90666113 | 108857 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 744 | 18 | 6 | 9 | 7.5 | Cc1cc(C)c(NC(=O)OC2CCN(CCCCCCCCCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c(-c2ccc(O)c(Cl)c2)c1 | 10.1039/C1MD00140J | ||
| CHEMBL3219045 | 108857 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 744 | 18 | 6 | 9 | 7.5 | Cc1cc(C)c(NC(=O)OC2CCN(CCCCCCCCCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c(-c2ccc(O)c(Cl)c2)c1 | 10.1039/C1MD00140J | ||
| 44392558 | 64924 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182770 | 64924 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 9831168 | 202996 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL74085 | 202996 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 16013947 | 21485 | 6 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 442 | 6 | 1 | 8 | 1.9 | CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cnnn4)cc3)CC2)cc1 | nan | ||
| CHEMBL1318405 | 21485 | 6 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 442 | 6 | 1 | 8 | 1.9 | CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cnnn4)cc3)CC2)cc1 | nan | ||
| 1236197 | 24763 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 352 | 5 | 1 | 5 | 4.0 | CC(=O)Nc1ccc(-c2nnc(SCc3ccc(C)cc3)n2C)cc1 | nan | ||
| CHEMBL1346173 | 24763 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 352 | 5 | 1 | 5 | 4.0 | CC(=O)Nc1ccc(-c2nnc(SCc3ccc(C)cc3)n2C)cc1 | nan | ||
| 9896742 | 203236 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL76403 | 203236 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 244359 | 39815 | 19 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 357 | 4 | 0 | 3 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1 | nan | ||
| CHEMBL1479163 | 39815 | 19 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 357 | 4 | 0 | 3 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1 | nan | ||
| 21044603 | 192283 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 384 | 8 | 3 | 4 | 3.1 | CCOCCCNC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5187056 | 192283 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 384 | 8 | 3 | 4 | 3.1 | CCOCCCNC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5221997 | 192283 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 384 | 8 | 3 | 4 | 3.1 | CCOCCCNC(CO)c1cc(Br)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 1202551 | 26447 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 366 | 3 | 0 | 3 | 5.1 | Cc1cccc2nc(COc3ccc4ccccc4c3Br)cn12 | nan | ||
| CHEMBL1361693 | 26447 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 366 | 3 | 0 | 3 | 5.1 | Cc1cccc2nc(COc3ccc4ccccc4c3Br)cn12 | nan | ||
| 559929 | 4831 | 10 | None | -4 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | ||
| CHEMBL10453 | 4831 | 10 | None | -4 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 273 | 5 | 4 | 5 | 1.4 | CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F | 10.1021/jm00107a027 | ||
| 24979207 | 35397 | 6 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 6 | 1 | 5 | 2.2 | CCN(CC)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl | nan | ||
| CHEMBL1439691 | 35397 | 6 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 6 | 1 | 5 | 2.2 | CCN(CC)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl | nan | ||
| 3762 | 14331 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 4 | 4 | 1.9 | CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL1201153 | 14331 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 4 | 4 | 1.9 | CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL1201213 | 14331 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 239 | 5 | 4 | 4 | 1.9 | CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 | nan | ||
| 44428080 | 148916 | 0 | None | - | 1 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 511 | 10 | 4 | 10 | 3.4 | CC(Cc1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL394600 | 148916 | 0 | None | - | 1 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 511 | 10 | 4 | 10 | 3.4 | CC(Cc1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 46221396 | 8470 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 364 | 4 | 4 | 4 | 2.6 | Cc1cc2c(cc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1094483 | 8470 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 364 | 4 | 4 | 4 | 2.6 | Cc1cc2c(cc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 11957285 | 41365 | 6 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 415 | 8 | 2 | 7 | 2.4 | O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc2c(c1)OCO2 | nan | ||
| CHEMBL1491674 | 41365 | 6 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 415 | 8 | 2 | 7 | 2.4 | O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc2c(c1)OCO2 | nan | ||
| 3164412 | 52888 | 9 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 408 | 5 | 0 | 5 | 1.7 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1598434 | 52888 | 9 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 408 | 5 | 0 | 5 | 1.7 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 | nan | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2011.04.135 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2011.04.135 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2011.04.135 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2011.04.135 | ||
| 145981079 | 166129 | 0 | None | 39 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3ccc(Cl)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4282047 | 166129 | 0 | None | 39 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 358 | 6 | 4 | 4 | 2.8 | O=c1ccc2c(C(CO)NCCc3ccc(Cl)cc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 57400228 | 70042 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CN4CCCC4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945295 | 70042 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CN4CCCC4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 443372 | 10138 | 23 | None | -3 | 8 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | ||
| CHEMBL1160723 | 10138 | 23 | None | -3 | 8 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | ||
| CHEMBL2062275 | 10138 | 23 | None | -3 | 8 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | ||
| 11318358 | 105951 | 0 | None | 50 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | ||
| CHEMBL3126387 | 105951 | 0 | None | 50 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | ||
| CHEMBL3139613 | 105951 | 0 | None | 50 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| 57403563 | 69880 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 482 | 13 | 6 | 8 | 2.9 | COc1ccc(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c(OC)c1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940822 | 69880 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 482 | 13 | 6 | 8 | 2.9 | COc1ccc(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c(OC)c1 | 10.1016/j.bmcl.2011.11.072 | ||
| 57391348 | 69886 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 498 | 12 | 6 | 6 | 4.6 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940828 | 69886 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 498 | 12 | 6 | 6 | 4.6 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 1084214 | 45278 | 9 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 432 | 8 | 1 | 6 | 2.7 | CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 | nan | ||
| CHEMBL1528594 | 45278 | 9 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 432 | 8 | 1 | 6 | 2.7 | CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 | nan | ||
| 5808 | 176206 | 20 | None | 1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL1257092 | 176206 | 20 | None | 1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL460574 | 176206 | 20 | None | 1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 | nan | ||
| 11003341 | 46036 | 0 | None | -15 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL153558 | 46036 | 0 | None | -15 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 11003341 | 46036 | 0 | None | -15 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL153558 | 46036 | 0 | None | -15 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441232 | 93355 | 0 | None | -316 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2ocnc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247519 | 93355 | 0 | None | -316 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2ocnc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 90644145 | 111752 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 9 | 4 | 5 | 4.1 | OCc1cc(C(O)CNCCc2ccc(N3CCC(c4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290974 | 111752 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 9 | 4 | 5 | 4.1 | OCc1cc(C(O)CNCCc2ccc(N3CCC(c4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 168290423 | 192368 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 5 | 3 | 3 | 3.1 | Nc1c(F)cc(C(CO)NCc2ccc(F)cc2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5201243 | 192368 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 5 | 3 | 3 | 3.1 | Nc1c(F)cc(C(CO)NCc2ccc(F)cc2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222511 | 192368 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 5 | 3 | 3 | 3.1 | Nc1c(F)cc(C(CO)NCc2ccc(F)cc2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| 11661536 | 75623 | 0 | None | -63 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cncc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL205389 | 75623 | 0 | None | -63 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cncc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| 53239456 | 61489 | 0 | None | -1 | 2 | Guinea pig | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 705 | 19 | 5 | 7 | 7.8 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773267 | 61489 | 0 | None | -1 | 2 | Guinea pig | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 705 | 19 | 5 | 7 | 7.8 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 56677231 | 63308 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800934 | 63308 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| 59548060 | 124745 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645336 | 124745 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 894 | 18 | 6 | 10 | 7.1 | COc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 45484558 | 195159 | 0 | None | 4 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL565770 | 195159 | 0 | None | 4 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 498 | 11 | 8 | 7 | 1.6 | CC(C)(Cc1ccc(NC(=O)CCCNC(=N)N)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 22063464 | 199325 | 0 | None | 10 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL602257 | 199325 | 0 | None | 10 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 370 | 6 | 4 | 5 | 2.7 | Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)c1 | 10.1016/j.bmcl.2009.12.087 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | nan | ||
| 4907596 | 48969 | 9 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 451 | 7 | 2 | 6 | 3.9 | CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccccc3nc2O)cc1 | nan | ||
| CHEMBL1562838 | 48969 | 9 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 451 | 7 | 2 | 6 | 3.9 | CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccccc3nc2O)cc1 | nan | ||
| 688467 | 85371 | 2 | None | 107 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL229476 | 85371 | 2 | None | 107 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 156015491 | 177735 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 346 | 6 | 4 | 5 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCc2ccc(F)cc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4649718 | 177735 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 346 | 6 | 4 | 5 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCc2ccc(F)cc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| CHEMBL4651054 | 177735 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 346 | 6 | 4 | 5 | 1.7 | O=C1COc2c(cc(O)cc2C(O)CNCCc2ccc(F)cc2)N1 | 10.1016/j.bmc.2019.115178 | ||
| 44396513 | 66390 | 0 | None | -30 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| CHEMBL185660 | 66390 | 0 | None | -30 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| 45273281 | 194065 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL2448075 | 194065 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557295 | 194065 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10553602 | 126631 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL36568 | 126631 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 2934084 | 51058 | 14 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 387 | 6 | 1 | 4 | 4.7 | CC(=O)Nc1cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)ccc1C | nan | ||
| CHEMBL1581214 | 51058 | 14 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 387 | 6 | 1 | 4 | 4.7 | CC(=O)Nc1cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)ccc1C | nan | ||
| 4586131 | 36762 | 8 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 426 | 5 | 1 | 8 | 3.7 | CN(C)CCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 | nan | ||
| CHEMBL1451649 | 36762 | 8 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 426 | 5 | 1 | 8 | 3.7 | CN(C)CCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 | nan | ||
| 1542103 | 22284 | 24 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 418 | 4 | 0 | 6 | 4.2 | Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL1325250 | 22284 | 24 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 418 | 4 | 0 | 6 | 4.2 | Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 | nan | ||
| 2044389 | 48957 | 8 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 424 | 6 | 1 | 8 | 4.8 | COCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 | nan | ||
| CHEMBL1562748 | 48957 | 8 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 424 | 6 | 1 | 8 | 4.8 | COCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 | nan | ||
| 2999219 | 45596 | 3 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 486 | 8 | 1 | 6 | 2.2 | O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(CC(O)COCC2CCCO2)CC1 | nan | ||
| CHEMBL1531486 | 45596 | 3 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 486 | 8 | 1 | 6 | 2.2 | O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(CC(O)COCC2CCCO2)CC1 | nan | ||
| 90666120 | 108866 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 728 | 19 | 6 | 9 | 6.6 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C[C@@H]3[C@@H](COC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)[C@@H]3C2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219053 | 108866 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 728 | 19 | 6 | 9 | 6.6 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C[C@@H]3[C@@H](COC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)[C@@H]3C2)ccc1O | 10.1039/C1MD00140J | ||
| 2964893 | 49809 | 8 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 5 | 0 | 5 | 1.1 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1 | nan | ||
| CHEMBL1569866 | 49809 | 8 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 5 | 0 | 5 | 1.1 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1 | nan | ||
| 3145570 | 46736 | 5 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 397 | 4 | 0 | 5 | 3.5 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCOCC1 | nan | ||
| CHEMBL1541608 | 46736 | 5 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 397 | 4 | 0 | 5 | 3.5 | CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCOCC1 | nan | ||
| 9541908 | 40301 | 6 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 426 | 5 | 1 | 5 | 4.9 | O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(-c2ccccc2)cc1 | nan | ||
| CHEMBL1483308 | 40301 | 6 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 426 | 5 | 1 | 5 | 4.9 | O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(-c2ccccc2)cc1 | nan | ||
| 16746367 | 45640 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 473 | 7 | 0 | 4 | 5.0 | COc1ccc(C2/C=C\CN(Cc3ccc(N(C)C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1531814 | 45640 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 473 | 7 | 0 | 4 | 5.0 | COc1ccc(C2/C=C\CN(Cc3ccc(N(C)C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 | nan | ||
| 1028 | 287 | 69 | None | -2 | 16 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 139148732 | 287 | 69 | None | -2 | 16 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 479 | 287 | 69 | None | -2 | 16 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 5816 | 287 | 69 | None | -2 | 16 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL679 | 287 | 69 | None | -2 | 16 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00668 | 287 | 69 | None | -2 | 16 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 24747616 | 19777 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 487 | 7 | 0 | 4 | 5.4 | COc1ccc([C@H]2/C=C\CN(Cc3ccc(N(C)C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1303120 | 19777 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 487 | 7 | 0 | 4 | 5.4 | COc1ccc([C@H]2/C=C\CN(Cc3ccc(N(C)C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 | nan | ||
| 44392542 | 65531 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL183552 | 65531 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1007/s00044-009-9257-x | ||
| 11432806 | 65866 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL184407 | 65866 | 0 | None | -134 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| 4144800 | 47512 | 6 | None | 28 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 372 | 4 | 1 | 7 | 2.5 | O=C(CN1C(=O)CCC1=O)Nc1nc(-c2nc3ccccc3s2)cs1 | nan | ||
| CHEMBL1548237 | 47512 | 6 | None | 28 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 372 | 4 | 1 | 7 | 2.5 | O=C(CN1C(=O)CCC1=O)Nc1nc(-c2nc3ccccc3s2)cs1 | nan | ||
| 24180436 | 92785 | 0 | None | -1 | 2 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244687 | 92785 | 0 | None | -1 | 2 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 168294773 | 192422 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 341 | 8 | 3 | 5 | 2.0 | CCOCCCNC(CO)c1cc(Br)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5208931 | 192422 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 341 | 8 | 3 | 5 | 2.0 | CCOCCCNC(CO)c1cc(Br)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222827 | 192422 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 341 | 8 | 3 | 5 | 2.0 | CCOCCCNC(CO)c1cc(Br)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 44392575 | 64041 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL181300 | 64041 | 0 | None | -2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | ||
| 983630 | 43024 | 10 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 4.2 | COc1ccc(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 | nan | ||
| CHEMBL1506379 | 43024 | 10 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 4.2 | COc1ccc(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 | nan | ||
| 3764964 | 43001 | 8 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 414 | 6 | 1 | 7 | 4.1 | CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 | nan | ||
| CHEMBL1506229 | 43001 | 8 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 414 | 6 | 1 | 7 | 4.1 | CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 | nan | ||
| 440988 | 187812 | 10 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 271 | 2 | 4 | 4 | 2.2 | Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1 | 10.1016/j.bmc.2017.10.011 | ||
| CHEMBL501778 | 187812 | 10 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 271 | 2 | 4 | 4 | 2.2 | Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1 | 10.1016/j.bmc.2017.10.011 | ||
| 10283539 | 167302 | 0 | None | -346 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL431048 | 167302 | 0 | None | -346 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| 123600 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 123600 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 44392508 | 64890 | 0 | None | -3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 494 | 11 | 3 | 6 | 4.3 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182614 | 64890 | 0 | None | -3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 494 | 11 | 3 | 6 | 4.3 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 73056756 | 103803 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099663 | 103803 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 24817832 | 66826 | 3 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 412 | 6 | 0 | 4 | 4.1 | COc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(F)c1 | nan | ||
| CHEMBL1876406 | 66826 | 3 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 412 | 6 | 0 | 4 | 4.1 | COc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(F)c1 | nan | ||
| 2812 | 4711 | 96 | None | -48 | 39 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4711 | 96 | None | -48 | 39 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 5309628 | 38057 | 5 | None | 134 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 397 | 4 | 0 | 4 | 3.3 | CC(=O)N1CCc2cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21 | nan | ||
| CHEMBL1462616 | 38057 | 5 | None | 134 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 397 | 4 | 0 | 4 | 3.3 | CC(=O)N1CCc2cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21 | nan | ||
| 10648298 | 99258 | 0 | None | -120 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 477 | 10 | 5 | 7 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL284788 | 99258 | 0 | None | -120 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 477 | 10 | 5 | 7 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 127046952 | 139571 | 0 | None | -87 | 2 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 421 | 12 | 3 | 5 | 4.5 | COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800636 | 139571 | 0 | None | -87 | 2 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 421 | 12 | 3 | 5 | 4.5 | COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 1362375 | 22785 | 14 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 6 | 2 | 5 | 4.8 | CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 | nan | ||
| CHEMBL1329712 | 22785 | 14 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 6 | 2 | 5 | 4.8 | CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 | nan | ||
| 20954901 | 44561 | 5 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 400 | 6 | 2 | 5 | 3.9 | CSc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 | nan | ||
| CHEMBL1522050 | 44561 | 5 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 400 | 6 | 2 | 5 | 3.9 | CSc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 | nan | ||
| 44144146 | 59191 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 500 | 7 | 1 | 4 | 5.5 | COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc(F)c1 | nan | ||
| CHEMBL1714856 | 59191 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 500 | 7 | 1 | 4 | 5.5 | COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc(F)c1 | nan | ||
| 1484653 | 50591 | 12 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 363 | 4 | 0 | 5 | 4.4 | Cc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 | nan | ||
| CHEMBL1577237 | 50591 | 12 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 363 | 4 | 0 | 5 | 4.4 | Cc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 | nan | ||
| 3317235 | 46524 | 5 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 392 | 5 | 0 | 5 | 4.8 | COc1ccc(C2=NN(C(=O)c3cccs3)C(c3ccc(OC)cc3)C2)cc1 | nan | ||
| CHEMBL1539906 | 46524 | 5 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 392 | 5 | 0 | 5 | 4.8 | COc1ccc(C2=NN(C(=O)c3cccs3)C(c3ccc(OC)cc3)C2)cc1 | nan | ||
| 44396736 | 66534 | 0 | None | -11 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL186271 | 66534 | 0 | None | -11 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| 2986164 | 51562 | 10 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 338 | 7 | 1 | 2 | 4.7 | CCCCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1 | nan | ||
| CHEMBL1585368 | 51562 | 10 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 338 | 7 | 1 | 2 | 4.7 | CCCCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1 | nan | ||
| 1016754 | 22494 | 12 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 5.3 | O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nc3ncccc3o2)cc1 | nan | ||
| CHEMBL1327325 | 22494 | 12 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 5.3 | O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nc3ncccc3o2)cc1 | nan | ||
| 11668125 | 199326 | 0 | None | 4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL602258 | 199326 | 0 | None | 4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 384 | 7 | 4 | 5 | 2.9 | CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 962697 | 197418 | 4 | None | 51 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 332 | 5 | 3 | 6 | 4.3 | Oc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1 | nan | ||
| CHEMBL531322 | 197418 | 4 | None | 51 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 332 | 5 | 3 | 6 | 4.3 | Oc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1 | nan | ||
| CHEMBL588751 | 197418 | 4 | None | 51 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 332 | 5 | 3 | 6 | 4.3 | Oc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1 | nan | ||
| 46221395 | 8444 | 0 | None | -6 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 336 | 4 | 4 | 4 | 2.0 | O=c1ccc2c([C@@H](O)CNC3Cc4ccccc4C3)ccc(O)c2[nH]1 | 10.1021/jm100068m | ||
| CHEMBL1094323 | 8444 | 0 | None | -6 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 336 | 4 | 4 | 4 | 2.0 | O=c1ccc2c([C@@H](O)CNC3Cc4ccccc4C3)ccc(O)c2[nH]1 | 10.1021/jm100068m | ||
| 44331426 | 4357 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101521 | 4357 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44268264 | 97780 | 0 | None | 120 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL274361 | 97780 | 0 | None | 120 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 11026016 | 46437 | 0 | None | -1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 411 | 10 | 4 | 5 | 2.5 | C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL153916 | 46437 | 0 | None | -1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 411 | 10 | 4 | 5 | 2.5 | C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 2419 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 5152 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 559 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1263 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| DB00938 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 2419 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 5152 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 559 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1263 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| DB00938 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 56670158 | 63765 | 0 | None | 15 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| CHEMBL1807830 | 63765 | 0 | None | 15 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 497 | 13 | 5 | 7 | 2.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC[S+]([O-])CCCNCCc3cccc(Cl)c3)c2s1 | 10.1016/j.bmcl.2011.05.097 | ||
| 90655866 | 110775 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 576 | 17 | 3 | 7 | 4.3 | CC(C)N(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1 | 10.1021/ml4005232 | ||
| CHEMBL3265163 | 110775 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 576 | 17 | 3 | 7 | 4.3 | CC(C)N(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1 | 10.1021/ml4005232 | ||
| 145980824 | 166093 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1ccccc1CCNC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4281324 | 166093 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 354 | 7 | 4 | 5 | 2.1 | COc1ccccc1CCNC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2018.04.041 | ||
| 145992510 | 166454 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 452 | 15 | 4 | 5 | 4.5 | O=c1ccc2c(C(CO)NCCCCCCOCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4288132 | 166454 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 452 | 15 | 4 | 5 | 4.5 | O=c1ccc2c(C(CO)NCCCCCCOCCCCc3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 57394848 | 69877 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 434 | 9 | 6 | 6 | 2.8 | OCc1cc(C(O)CNC2Cc3ccc(NCC(O)c4ccccc4)cc3C2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940819 | 69877 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 434 | 9 | 6 | 6 | 2.8 | OCc1cc(C(O)CNC2Cc3ccc(NCC(O)c4ccccc4)cc3C2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 9906822 | 161488 | 0 | None | -40 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| CHEMBL416012 | 161488 | 0 | None | -40 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| 11268355 | 95949 | 0 | None | -40 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL26183 | 95949 | 0 | None | -40 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 45101521 | 195152 | 0 | None | 4 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 570 | 15 | 8 | 9 | 1.3 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL565747 | 195152 | 0 | None | 4 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 570 | 15 | 8 | 9 | 1.3 | CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 2212788 | 27946 | 9 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 490 | 10 | 1 | 7 | 4.2 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1 | nan | ||
| CHEMBL1373386 | 27946 | 9 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 490 | 10 | 1 | 7 | 4.2 | C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1 | nan | ||
| 44396531 | 66501 | 0 | None | -38 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186135 | 66501 | 0 | None | -38 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 54582151 | 61488 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 711 | 24 | 5 | 8 | 7.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773266 | 61488 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 711 | 24 | 5 | 8 | 7.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.1c02006 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.1c02006 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.1c02006 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.1c02006 | ||
| 49861320 | 54681 | 0 | None | 6 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204003 | 54681 | 0 | None | 6 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1615579 | 54681 | 0 | None | 6 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45272417 | 193770 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL2448074 | 193770 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552368 | 193770 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 567 | 716 | 10 | None | -83 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0101500 | ||
| 9841972 | 716 | 10 | None | -83 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0101500 | ||
| CHEMBL284782 | 716 | 10 | None | -83 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0101500 | ||
| 44369602 | 46579 | 0 | None | 6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1cccc(CC(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154036 | 46579 | 0 | None | 6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1cccc(CC(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 9799092 | 47042 | 0 | None | -12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154419 | 47042 | 0 | None | -12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 567 | 716 | 10 | None | -83 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0509445 | ||
| 9841972 | 716 | 10 | None | -83 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0509445 | ||
| CHEMBL284782 | 716 | 10 | None | -83 | 7 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0509445 | ||
| 9799092 | 47042 | 0 | None | -12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL154419 | 47042 | 0 | None | -12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 9845282 | 75599 | 0 | None | -501 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL205224 | 75599 | 0 | None | -501 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 57401203 | 70517 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 566 | 15 | 4 | 8 | 4.2 | COc1ccc(C2=NN(CCCCCCNCC(O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| CHEMBL1951070 | 70517 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 566 | 15 | 4 | 8 | 4.2 | COc1ccc(C2=NN(CCCCCCNCC(O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| 9799092 | 47042 | 0 | None | -12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL154419 | 47042 | 0 | None | -12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441230 | 93354 | 0 | None | -31 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2csc(C(=O)O)n2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247518 | 93354 | 0 | None | -31 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2csc(C(=O)O)n2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441228 | 167209 | 0 | None | -7 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2nc(C(=O)O)cs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL430390 | 167209 | 0 | None | -7 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2nc(C(=O)O)cs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 87142783 | 118558 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 719 | 13 | 5 | 9 | 5.8 | COc1cc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| CHEMBL3426704 | 118558 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 719 | 13 | 5 | 9 | 5.8 | COc1cc(N(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/jm501915g | ||
| 141465526 | 165887 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 352 | 6 | 4 | 4 | 2.9 | CC(C)(Cc1ccccc1)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4277527 | 165887 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 352 | 6 | 4 | 4 | 2.9 | CC(C)(Cc1ccccc1)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.ejmech.2018.04.041 | ||
| 145992971 | 166486 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 8 | 5 | 5 | 3.4 | O=C(Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4288842 | 166486 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 8 | 5 | 5 | 3.4 | O=C(Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.04.041 | ||
| 145989180 | 166674 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 409 | 8 | 5 | 5 | 2.7 | CC(C)C(=O)Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4292249 | 166674 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 409 | 8 | 5 | 5 | 2.7 | CC(C)C(=O)Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| 57393116 | 69884 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 478 | 11 | 6 | 6 | 4.2 | CC(C)(C)c1ccc(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940826 | 69884 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 478 | 11 | 6 | 6 | 4.2 | CC(C)(C)c1ccc(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2011.11.072 | ||
| 57391349 | 69887 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 472 | 11 | 6 | 6 | 4.0 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940829 | 69887 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 472 | 11 | 6 | 6 | 4.0 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 10393774 | 120231 | 0 | None | -1258 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 598 | 14 | 5 | 9 | 2.1 | CCCCN(c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)S(=O)(=O)CC(=O)O | 10.1021/jm000544b | ||
| CHEMBL35500 | 120231 | 0 | None | -1258 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 598 | 14 | 5 | 9 | 2.1 | CCCCN(c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)S(=O)(=O)CC(=O)O | 10.1021/jm000544b | ||
| 9845280 | 76974 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 424 | 9 | 3 | 5 | 4.5 | COC(=O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL208352 | 76974 | 0 | None | -3 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 424 | 9 | 3 | 5 | 4.5 | COC(=O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| 90644146 | 111753 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 4 | 5 | 4.2 | OCc1cc(C(O)CNCCc2ccc(N3CCC(Cc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290975 | 111753 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 4 | 5 | 4.2 | OCc1cc(C(O)CNCCc2ccc(N3CCC(Cc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 135799875 | 185838 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 276 | 3 | 4 | 4 | 1.7 | CC(C)(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4876155 | 185838 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 276 | 3 | 4 | 4 | 1.7 | CC(C)(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| 44441236 | 92990 | 0 | None | -3981 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 416 | 9 | 4 | 5 | 4.5 | O=C(O)c1ccsc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245875 | 92990 | 0 | None | -3981 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 416 | 9 | 4 | 5 | 4.5 | O=C(O)c1ccsc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 1371669 | 37356 | 10 | None | 64 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 373 | 5 | 1 | 5 | 4.5 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1 | nan | ||
| CHEMBL1456621 | 37356 | 10 | None | 64 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 373 | 5 | 1 | 5 | 4.5 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1 | nan | ||
| 16736091 | 85305 | 0 | None | -251 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL228996 | 85305 | 0 | None | -251 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| 127046950 | 139515 | 0 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800303 | 139515 | 0 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 141486999 | 166138 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 229 | 1 | 2 | 4 | 2.1 | Oc1cc2c(cc1O)C(c1ccco1)=NCC2 | 10.1021/acs.jnatprod.7b00762 | ||
| CHEMBL4282215 | 166138 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 229 | 1 | 2 | 4 | 2.1 | Oc1cc2c(cc1O)C(c1ccco1)=NCC2 | 10.1021/acs.jnatprod.7b00762 | ||
| 1631626 | 27290 | 14 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 292 | 7 | 1 | 5 | 2.9 | COc1ccccc1OCCCC(=O)Nc1nccs1 | nan | ||
| CHEMBL1368804 | 27290 | 14 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 292 | 7 | 1 | 5 | 2.9 | COc1ccccc1OCCCC(=O)Nc1nccs1 | nan | ||
| 46232815 | 199996 | 0 | None | -5 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL606208 | 199996 | 0 | None | -5 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 412 | 6 | 4 | 5 | 3.7 | CC(C)(Cc1ccc(C(C)(C)C)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 145984584 | 165334 | 0 | None | -102 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 444 | 10 | 5 | 4 | 4.4 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4249564 | 165334 | 0 | None | -102 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 444 | 10 | 5 | 4 | 4.4 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 11074 | 482 | 5 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 314 | 2 | 2 | 4 | 3.7 | Brc1ccc2c(c1)c(N)nc(n2)Nc1ccccc1 | 10.1021/acs.jmedchem.0c01195 | ||
| 145998261 | 482 | 5 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 314 | 2 | 2 | 4 | 3.7 | Brc1ccc2c(c1)c(N)nc(n2)Nc1ccccc1 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4869271 | 482 | 5 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 314 | 2 | 2 | 4 | 3.7 | Brc1ccc2c(c1)c(N)nc(n2)Nc1ccccc1 | 10.1021/acs.jmedchem.0c01195 | ||
| 20950665 | 66879 | 4 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 418 | 6 | 1 | 4 | 2.8 | CC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 | nan | ||
| CHEMBL1878737 | 66879 | 4 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 418 | 6 | 1 | 4 | 2.8 | CC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 | nan | ||
| 24817062 | 28565 | 7 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 382 | 5 | 0 | 3 | 4.1 | O=C(c1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1)N1CCCC1 | nan | ||
| CHEMBL1378531 | 28565 | 7 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 382 | 5 | 0 | 3 | 4.1 | O=C(c1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1)N1CCCC1 | nan | ||
| 76322965 | 84895 | 0 | None | -52 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 511 | 9 | 3 | 7 | 4.5 | C[C@H](Cc1cn2c3c(cccc13)OCCC2)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL2260989 | 84895 | 0 | None | -52 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 511 | 9 | 3 | 7 | 4.5 | C[C@H](Cc1cn2c3c(cccc13)OCCC2)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| 4625323 | 199652 | 8 | None | 46 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 419 | 8 | 1 | 6 | 5.6 | CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1 | nan | ||
| CHEMBL604311 | 199652 | 8 | None | 46 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 419 | 8 | 1 | 6 | 5.6 | CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1 | nan | ||
| 44396577 | 66618 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL186676 | 66618 | 0 | None | -25 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| 145971070 | 164448 | 2 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 646 | 12 | 4 | 4 | 4.4 | CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)[C@H](Cc1ccc(C(N)=O)cc1)NC(=O)C(c1ccccc1)C1CCCCC1 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4225747 | 164448 | 2 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 646 | 12 | 4 | 4 | 4.4 | CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)[C@H](Cc1ccc(C(N)=O)cc1)NC(=O)C(c1ccccc1)C1CCCCC1 | 10.1021/acs.jmedchem.0c01195 | ||
| 44428086 | 149547 | 0 | None | 7 | 2 | Guinea pig | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL395082 | 149547 | 0 | None | 7 | 2 | Guinea pig | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 24817832 | 66826 | 3 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 412 | 6 | 0 | 4 | 4.1 | COc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(F)c1 | nan | ||
| CHEMBL1876406 | 66826 | 3 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 412 | 6 | 0 | 4 | 4.1 | COc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(F)c1 | nan | ||
| 24790337 | 22558 | 5 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 417 | 7 | 0 | 7 | 3.7 | Cc1ccc(OCc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4C)c3)no2)cn1 | nan | ||
| CHEMBL1327806 | 22558 | 5 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 417 | 7 | 0 | 7 | 3.7 | Cc1ccc(OCc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4C)c3)no2)cn1 | nan | ||
| 44428086 | 149547 | 0 | None | 7 | 2 | Guinea pig | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL395082 | 149547 | 0 | None | 7 | 2 | Guinea pig | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 415 | 9 | 4 | 8 | 1.9 | Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 193350 | 67320 | 7 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL1902287 | 67320 | 7 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL1906949 | 67320 | 7 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(O)c1 | nan | ||
| 4378441 | 54502 | 8 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 422 | 3 | 1 | 5 | 5.7 | O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2c(c1)OCCO2 | nan | ||
| CHEMBL1612392 | 54502 | 8 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 422 | 3 | 1 | 5 | 5.7 | O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2c(c1)OCCO2 | nan | ||
| 16189131 | 27555 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 391 | 6 | 0 | 5 | 4.7 | CSc1ccc(C(=O)C2CCCN(Cc3cccn3-c3cccnc3)C2)cc1 | nan | ||
| CHEMBL1370616 | 27555 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 391 | 6 | 0 | 5 | 4.7 | CSc1ccc(C(=O)C2CCCN(Cc3cccn3-c3cccnc3)C2)cc1 | nan | ||
| 90666114 | 108859 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 734 | 18 | 6 | 9 | 7.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3cc(F)ccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219047 | 108859 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 734 | 18 | 6 | 9 | 7.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3cc(F)ccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 12005176 | 48563 | 5 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 458 | 6 | 1 | 7 | 4.5 | CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3C2c2cccc([N+](=O)[O-])c2)cc1 | nan | ||
| CHEMBL1559039 | 48563 | 5 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 458 | 6 | 1 | 7 | 4.5 | CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3C2c2cccc([N+](=O)[O-])c2)cc1 | nan | ||
| 2957284 | 37709 | 10 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 360 | 7 | 1 | 4 | 3.2 | CCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)OCC)C2)cc1 | nan | ||
| CHEMBL1459608 | 37709 | 10 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 360 | 7 | 1 | 4 | 3.2 | CCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)OCC)C2)cc1 | nan | ||
| 688467 | 85371 | 2 | None | -107 | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL229476 | 85371 | 2 | None | -107 | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 16299699 | 41252 | 5 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 3.7 | CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 | nan | ||
| CHEMBL1490889 | 41252 | 5 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 3.7 | CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 | nan | ||
| 76315637 | 84890 | 0 | None | -47 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 607 | 12 | 4 | 10 | 4.2 | CCOC(=O)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| CHEMBL2260984 | 84890 | 0 | None | -47 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 607 | 12 | 4 | 10 | 4.2 | CCOC(=O)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | ||
| 11632691 | 199857 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL605372 | 199857 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 398 | 7 | 4 | 5 | 3.5 | CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 1499 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| 3779 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| 536 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| CHEMBL434 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| DB01064 | 2060 | 43 | None | -165 | 36 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00107a027 | ||
| 9832011 | 105002 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL312074 | 105002 | 0 | None | -19 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 24823464 | 97169 | 0 | None | -2041 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL270964 | 97169 | 0 | None | -2041 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 12988997 | 192193 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 322 | 4 | 3 | 3 | 3.5 | Nc1c(Cl)cc(C(CO)NC2CCCC2)cc1C(F)(F)F | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5172759 | 192193 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 322 | 4 | 3 | 3 | 3.5 | Nc1c(Cl)cc(C(CO)NC2CCCC2)cc1C(F)(F)F | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5221410 | 192193 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 322 | 4 | 3 | 3 | 3.5 | Nc1c(Cl)cc(C(CO)NC2CCCC2)cc1C(F)(F)F | 10.1021/acs.jmedchem.1c02006 | ||
| 5350331 | 108431 | 7 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 12 | 0 | 8 | 3.8 | C=CCc1ccc(OCCOc2ccc(/C=N/n3cnnc3)cc2OCC)c(OC)c1 | nan | ||
| CHEMBL3211107 | 108431 | 7 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 12 | 0 | 8 | 3.8 | C=CCc1ccc(OCCOc2ccc(/C=N/n3cnnc3)cc2OCC)c(OC)c1 | nan | ||
| 1329577 | 53109 | 6 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 425 | 4 | 0 | 3 | 3.5 | O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 | nan | ||
| CHEMBL1600429 | 53109 | 6 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 425 | 4 | 0 | 3 | 3.5 | O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 | nan | ||
| 44589400 | 192983 | 0 | None | -2 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | ||
| CHEMBL530556 | 192983 | 0 | None | -2 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | ||
| 16735495 | 85359 | 0 | None | -3 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL229401 | 85359 | 0 | None | -3 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 2234461 | 43527 | 9 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 432 | 7 | 1 | 6 | 2.7 | COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 | nan | ||
| CHEMBL1510834 | 43527 | 9 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 432 | 7 | 1 | 6 | 2.7 | COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 | nan | ||
| 24177540 | 184117 | 2 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 362 | 9 | 5 | 6 | 2.5 | COc1cc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)ccc1O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4850211 | 184117 | 2 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 362 | 9 | 5 | 6 | 2.5 | COc1cc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)ccc1O | 10.1021/acs.jmedchem.0c01195 | ||
| 25023952 | 192688 | 0 | None | - | 1 | Golden hamster | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 545 | 15 | 8 | 13 | 0.0 | O=CNc1cc(C(O)CNCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| CHEMBL524037 | 192688 | 0 | None | - | 1 | Golden hamster | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 545 | 15 | 8 | 13 | 0.0 | O=CNc1cc(C(O)CNCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| 59548089 | 124686 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 818 | 18 | 6 | 10 | 6.1 | COc1ccc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3645279 | 124686 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 818 | 18 | 6 | 10 | 6.1 | COc1ccc(NC(=O)CCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 10455 | 3230 | 34 | None | 53 | 3 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| 56052 | 3230 | 34 | None | 53 | 3 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| CHEMBL509336 | 3230 | 34 | None | 53 | 3 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| DB11541 | 3230 | 34 | None | 53 | 3 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| 102262219 | 139529 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800400 | 139529 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 44396513 | 66390 | 0 | None | -30 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185660 | 66390 | 0 | None | -30 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 16035377 | 110772 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 15 | 3 | 7 | 2.5 | CN(C)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| CHEMBL3265160 | 110772 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 15 | 3 | 7 | 2.5 | CN(C)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| 16035379 | 110783 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 562 | 17 | 3 | 7 | 3.9 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1 | 10.1021/ml4005232 | ||
| CHEMBL3265171 | 110783 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 562 | 17 | 3 | 7 | 3.9 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1 | 10.1021/ml4005232 | ||
| 16035068 | 112214 | 4 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 578 | 17 | 3 | 7 | 4.4 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc2ccccc12 | 10.1021/ml4005232 | ||
| CHEMBL3265167 | 112214 | 4 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 578 | 17 | 3 | 7 | 4.4 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc2ccccc12 | 10.1021/ml4005232 | ||
| CHEMBL3304488 | 112214 | 4 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 578 | 17 | 3 | 7 | 4.4 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc2ccccc12 | 10.1021/ml4005232 | ||
| 56943517 | 112012 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298832 | 112012 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| 59119466 | 111776 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 436 | 10 | 5 | 7 | 3.3 | COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290996 | 111776 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 436 | 10 | 5 | 7 | 3.3 | COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 57391345 | 69881 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 482 | 13 | 6 | 8 | 2.9 | COc1ccc(OC)c(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940823 | 69881 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 482 | 13 | 6 | 8 | 2.9 | COc1ccc(OC)c(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2011.11.072 | ||
| 1165076 | 39709 | 4 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 466 | 5 | 1 | 7 | 4.8 | Cc1ccc(Cn2ccc(NC(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)n2)cc1 | nan | ||
| CHEMBL1478198 | 39709 | 4 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 466 | 5 | 1 | 7 | 4.8 | Cc1ccc(Cn2ccc(NC(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)n2)cc1 | nan | ||
| 44396577 | 66618 | 0 | None | -25 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186676 | 66618 | 0 | None | -25 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44396596 | 122784 | 0 | None | -25 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL361505 | 122784 | 0 | None | -25 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 44396488 | 66398 | 0 | None | -5 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 556 | 12 | 4 | 7 | 3.8 | C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185703 | 66398 | 0 | None | -5 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 556 | 12 | 4 | 7 | 3.8 | C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 1287365 | 37583 | 9 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 373 | 5 | 2 | 3 | 5.3 | Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 | nan | ||
| CHEMBL1458579 | 37583 | 9 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 373 | 5 | 2 | 3 | 5.3 | Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 | nan | ||
| 666902 | 24780 | 9 | None | 213 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 451 | 8 | 1 | 7 | 5.3 | Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 | nan | ||
| CHEMBL1346316 | 24780 | 9 | None | 213 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 451 | 8 | 1 | 7 | 5.3 | Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 | nan | ||
| 44396738 | 123366 | 0 | None | -54 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 655 | 13 | 5 | 9 | 4.8 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(C(=O)O)cc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL362763 | 123366 | 0 | None | -54 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 655 | 13 | 5 | 9 | 4.8 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(C(=O)O)cc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 10233153 | 4165 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 642 | 11 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4ccc5c(C(=O)O)cccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL100351 | 4165 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 642 | 11 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4ccc5c(C(=O)O)cccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 10076548 | 162713 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.7 | CCCCN(C(=O)CC(=O)O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| CHEMBL418600 | 162713 | 0 | None | -6 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.7 | CCCCN(C(=O)CC(=O)O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| 123686 | 1950 | 44 | None | -74 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 12581 | 1950 | 44 | None | -74 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| CHEMBL11268 | 1950 | 44 | None | -74 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 2953239 | 31027 | 5 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 1.4 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1 | nan | ||
| CHEMBL1401186 | 31027 | 5 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 1.4 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1 | nan | ||
| 20954905 | 22924 | 5 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 398 | 7 | 2 | 5 | 3.6 | CCOc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 | nan | ||
| CHEMBL1330871 | 22924 | 5 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 398 | 7 | 2 | 5 | 3.6 | CCOc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 | nan | ||
| 1025603 | 28231 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 430 | 8 | 1 | 4 | 3.4 | CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1375364 | 28231 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 430 | 8 | 1 | 4 | 3.4 | CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | nan | ||
| 9997789 | 185719 | 0 | None | 107 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL4874511 | 185719 | 0 | None | 107 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5192245 | 185719 | 0 | None | 107 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 310 | 3 | 3 | 3 | 3.4 | CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 440927 | 178376 | 18 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 271 | 2 | 4 | 4 | 2.2 | Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1 | 10.1016/j.bmc.2017.10.011 | ||
| CHEMBL470491 | 178376 | 18 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 271 | 2 | 4 | 4 | 2.2 | Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1 | 10.1016/j.bmc.2017.10.011 | ||
| 10601234 | 111515 | 0 | None | -91 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 493 | 11 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(COCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL32888 | 111515 | 0 | None | -91 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 493 | 11 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(COCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 145984792 | 165176 | 0 | None | -776 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 461 | 12 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)c3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4246134 | 165176 | 0 | None | -776 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 461 | 12 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)c3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 2458483 | 50207 | 6 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 344 | 4 | 0 | 4 | 4.5 | CN(Cc1ccccc1F)c1nc(-c2cccnc2)nc2ccccc12 | nan | ||
| CHEMBL1573444 | 50207 | 6 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 344 | 4 | 0 | 4 | 4.5 | CN(Cc1ccccc1F)c1nc(-c2cccnc2)nc2ccccc12 | nan | ||
| 1094286 | 50564 | 15 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 4.2 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 | nan | ||
| CHEMBL1577023 | 50564 | 15 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 4.2 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 | nan | ||
| 73056759 | 103802 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099662 | 103802 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 73057082 | 103804 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099664 | 103804 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 1854978 | 37480 | 8 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 5.5 | CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 | nan | ||
| CHEMBL1457704 | 37480 | 8 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 5.5 | CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 | nan | ||
| 135799890 | 185205 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 304 | 8 | 4 | 4 | 2.4 | CCCCCCNC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4866730 | 185205 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 304 | 8 | 4 | 4 | 2.4 | CCCCCCNC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| 44377771 | 164995 | 0 | None | -102 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 596 | 10 | 5 | 9 | 3.4 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL424167 | 164995 | 0 | None | -102 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 596 | 10 | 5 | 9 | 3.4 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 1090196 | 53584 | 15 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 378 | 5 | 1 | 6 | 3.2 | CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 | nan | ||
| CHEMBL1604735 | 53584 | 15 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 378 | 5 | 1 | 6 | 3.2 | CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 | nan | ||
| 1288829 | 24932 | 10 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 391 | 6 | 1 | 6 | 5.0 | Cc1ccc(SCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1 | nan | ||
| CHEMBL1347493 | 24932 | 10 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 391 | 6 | 1 | 6 | 5.0 | Cc1ccc(SCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1 | nan | ||
| 57396616 | 69885 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 492 | 14 | 6 | 6 | 4.5 | CC(C)CCc1ccc(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940827 | 69885 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 492 | 14 | 6 | 6 | 4.5 | CC(C)CCc1ccc(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2011.11.072 | ||
| 9823696 | 75423 | 0 | None | -398 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.7 | Cc1ccc(C(=O)O)cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL204827 | 75423 | 0 | None | -398 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.7 | Cc1ccc(C(=O)O)cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| 44441235 | 150460 | 0 | None | -1584 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1ccc(-c2sccc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL395834 | 150460 | 0 | None | -1584 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1ccc(-c2sccc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 145991502 | 166297 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.7 | O=c1ccc2c(C(CO)NCC(c3ccccc3)c3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4285474 | 166297 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 400 | 7 | 4 | 4 | 3.7 | O=c1ccc2c(C(CO)NCC(c3ccccc3)c3ccccc3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 145992059 | 166419 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)CC(=O)Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4287518 | 166419 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 9 | 5 | 5 | 3.1 | CC(C)CC(=O)Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| 90644150 | 111757 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 491 | 11 | 4 | 7 | 3.1 | COc1ccc(CN2CCN(c3ccc(CCNCC(O)c4ccc(O)c(CO)c4)cc3)CC2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290979 | 111757 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 491 | 11 | 4 | 7 | 3.1 | COc1ccc(CN2CCN(c3ccc(CCNCC(O)c4ccc(O)c(CO)c4)cc3)CC2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 10103414 | 76184 | 13 | None | -1 | 3 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL206100 | 76184 | 13 | None | -1 | 3 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 1104203 | 44618 | 12 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 350 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1 | nan | ||
| CHEMBL1522618 | 44618 | 12 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 350 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1 | nan | ||
| 9169702 | 66939 | 6 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 423 | 8 | 1 | 5 | 2.7 | CCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1 | nan | ||
| CHEMBL1881705 | 66939 | 6 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 423 | 8 | 1 | 5 | 2.7 | CCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1 | nan | ||
| 90666109 | 108851 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 700 | 18 | 6 | 9 | 6.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(O)cc(F)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219039 | 108851 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 700 | 18 | 6 | 9 | 6.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(O)cc(F)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 160510 | 100658 | 36 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 184 | 0 | 1 | 1 | 2.5 | CC1=NCCc2c1[nH]c1ccccc21 | nan | ||
| CHEMBL1506260 | 100658 | 36 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 184 | 0 | 1 | 1 | 2.5 | CC1=NCCc2c1[nH]c1ccccc21 | nan | ||
| CHEMBL295234 | 100658 | 36 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 184 | 0 | 1 | 1 | 2.5 | CC1=NCCc2c1[nH]c1ccccc21 | nan | ||
| 6619041 | 21051 | 7 | None | 6 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 502 | 9 | 2 | 8 | 3.2 | CCOc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)c3ccccc23)cc1 | nan | ||
| CHEMBL1313270 | 21051 | 7 | None | 6 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 502 | 9 | 2 | 8 | 3.2 | CCOc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)c3ccccc23)cc1 | nan | ||
| 44396532 | 66423 | 0 | None | -42 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL185836 | 66423 | 0 | None | -42 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| 655791 | 20396 | 5 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 462 | 7 | 1 | 8 | 4.2 | Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)N1CCc2ccccc21 | nan | ||
| CHEMBL1308099 | 20396 | 5 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 462 | 7 | 1 | 8 | 4.2 | Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)N1CCc2ccccc21 | nan | ||
| 1369799 | 44214 | 8 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 5.2 | CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cccnc4o3)cc2)cc1 | nan | ||
| CHEMBL1519042 | 44214 | 8 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 5.2 | CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cccnc4o3)cc2)cc1 | nan | ||
| 105 | 3405 | 84 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| 2083 | 3405 | 84 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| 558 | 3405 | 84 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| CHEMBL714 | 3405 | 84 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| DB01001 | 3405 | 84 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| 46232816 | 199269 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL601858 | 199269 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 432 | 7 | 4 | 5 | 4.0 | CC(C)(Cc1ccc(-c2ccccc2)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.12.087 | ||
| 10305108 | 110955 | 0 | None | -134 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 659 | 17 | 6 | 8 | 4.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL327519 | 110955 | 0 | None | -134 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 659 | 17 | 6 | 8 | 4.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44392490 | 64912 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182708 | 64912 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 1253647 | 36858 | 9 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 448 | 3 | 0 | 8 | 2.6 | O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | nan | ||
| CHEMBL1452334 | 36858 | 9 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 448 | 3 | 0 | 8 | 2.6 | O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | nan | ||
| 3086576 | 176381 | 29 | None | -11 | 3 | Guinea pig | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O | 10.1021/jm801211c | ||
| CHEMBL462313 | 176381 | 29 | None | -11 | 3 | Guinea pig | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O | 10.1021/jm801211c | ||
| CHEMBL513390 | 176381 | 29 | None | -11 | 3 | Guinea pig | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O | 10.1021/jm801211c | ||
| 24794013 | 51128 | 1 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 404 | 5 | 1 | 4 | 4.4 | Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1 | nan | ||
| CHEMBL1581826 | 51128 | 1 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 404 | 5 | 1 | 4 | 4.4 | Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1 | nan | ||
| 127045853 | 139263 | 0 | None | 117 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3798748 | 139263 | 0 | None | 117 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 16735261 | 85306 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL228998 | 85306 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2009.11.062 | ||
| 16735261 | 85306 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228998 | 85306 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 44396737 | 66524 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 683 | 14 | 4 | 10 | 5.2 | CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)NC[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c23)cc1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186236 | 66524 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 683 | 14 | 4 | 10 | 5.2 | CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)NC[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c23)cc1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44396530 | 66753 | 0 | None | -23 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL187317 | 66753 | 0 | None | -23 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 658782 | 49841 | 10 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 465 | 4 | 0 | 9 | 1.9 | Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C | nan | ||
| CHEMBL1570111 | 49841 | 10 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 465 | 4 | 0 | 9 | 1.9 | Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C | nan | ||
| 42629372 | 63316 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800962 | 63316 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 44392542 | 65531 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL183552 | 65531 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44396559 | 66514 | 0 | None | -7 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 499 | 11 | 4 | 6 | 4.7 | CCOc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186196 | 66514 | 0 | None | -7 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 499 | 11 | 4 | 6 | 4.7 | CCOc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 4191632 | 45314 | 10 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 425 | 8 | 2 | 6 | 3.7 | O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2 | nan | ||
| CHEMBL1528906 | 45314 | 10 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 425 | 8 | 2 | 6 | 3.7 | O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2 | nan | ||
| 1016754 | 22494 | 12 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 5.3 | O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nc3ncccc3o2)cc1 | nan | ||
| CHEMBL1327325 | 22494 | 12 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 395 | 5 | 1 | 5 | 5.3 | O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nc3ncccc3o2)cc1 | nan | ||
| 11134054 | 46719 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 4.1 | C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154150 | 46719 | 0 | None | -6 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 4.1 | C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| 56683262 | 63220 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 457 | 12 | 4 | 6 | 3.0 | CC(C)(CNCCc1ccc(O)c2[nH]c(=O)sc12)NC(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1800474 | 63220 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 457 | 12 | 4 | 6 | 3.0 | CC(C)(CNCCc1ccc(O)c2[nH]c(=O)sc12)NC(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| 56666341 | 63230 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 471 | 14 | 3 | 6 | 3.3 | CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1800657 | 63230 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 471 | 14 | 3 | 6 | 3.3 | CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| 56659408 | 63231 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 471 | 13 | 3 | 6 | 3.3 | CC(C)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| CHEMBL1800658 | 63231 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 471 | 13 | 3 | 6 | 3.3 | CC(C)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1016/j.bmcl.2011.04.135 | ||
| 16035375 | 110769 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 528 | 17 | 3 | 7 | 3.2 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| CHEMBL3265157 | 110769 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 528 | 17 | 3 | 7 | 3.2 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 | 10.1021/ml4005232 | ||
| 90655868 | 110777 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 574 | 17 | 3 | 7 | 4.0 | CN(CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1)C1CC1 | 10.1021/ml4005232 | ||
| CHEMBL3265165 | 110777 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 574 | 17 | 3 | 7 | 4.0 | CN(CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1)C1CC1 | 10.1021/ml4005232 | ||
| 16035175 | 110780 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 3 | 7 | 3.4 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(F)c1 | 10.1021/ml4005232 | ||
| CHEMBL3265169 | 110780 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 3 | 7 | 3.4 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(F)c1 | 10.1021/ml4005232 | ||
| 16035281 | 110782 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 558 | 18 | 3 | 8 | 3.3 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(OC)c1 | 10.1021/ml4005232 | ||
| CHEMBL3265170 | 110782 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 558 | 18 | 3 | 8 | 3.3 | CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(OC)c1 | 10.1021/ml4005232 | ||
| 57401436 | 70058 | 0 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945504 | 70058 | 0 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 11318107 | 105907 | 0 | None | 251 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | ||
| CHEMBL3126386 | 105907 | 0 | None | 251 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | ||
| CHEMBL3139364 | 105907 | 0 | None | 251 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | ||
| 42625741 | 12491 | 0 | None | 158 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186940 | 12491 | 0 | None | 158 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483202 | 12491 | 0 | None | 158 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 46833103 | 7332 | 0 | None | 7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(O)cc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1086535 | 7332 | 0 | None | 7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(O)cc2)ccc1O | 10.1021/jm100326d | ||
| 59119472 | 111765 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 418 | 9 | 5 | 5 | 4.0 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290986 | 111765 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 418 | 9 | 5 | 5 | 4.0 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 59119417 | 111766 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290987 | 111766 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 57391346 | 69882 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 438 | 11 | 7 | 7 | 2.6 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940824 | 69882 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 438 | 11 | 7 | 7 | 2.6 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 45483825 | 195592 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 315 | 7 | 4 | 4 | 2.5 | CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| CHEMBL568511 | 195592 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 315 | 7 | 4 | 4 | 2.5 | CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2009.10.013 | ||
| 2952777 | 192998 | 7 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 6.0 | CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 | nan | ||
| CHEMBL531401 | 192998 | 7 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 6.0 | CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 | nan | ||
| 155774 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 2848 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 538 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| CHEMBL75753 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| DB13781 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 1288829 | 24932 | 10 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 391 | 6 | 1 | 6 | 5.0 | Cc1ccc(SCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1 | nan | ||
| CHEMBL1347493 | 24932 | 10 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 391 | 6 | 1 | 6 | 5.0 | Cc1ccc(SCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1 | nan | ||
| 3105 | 14333 | 31 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 351 | 5 | 2 | 6 | 2.8 | CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 | nan | ||
| CHEMBL1200833 | 14333 | 31 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 351 | 5 | 2 | 6 | 2.8 | CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 | nan | ||
| CHEMBL1201262 | 14333 | 31 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 351 | 5 | 2 | 6 | 2.8 | CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 | nan | ||
| 24789167 | 58981 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 502 | 8 | 2 | 7 | 3.3 | Cc1cc(C)cc(C(=O)NC(CC(N)=O)c2ccc(N3CCN(c4ccccn4)CC3)c([N+](=O)[O-])c2)c1 | nan | ||
| CHEMBL1705007 | 58981 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 502 | 8 | 2 | 7 | 3.3 | Cc1cc(C)cc(C(=O)NC(CC(N)=O)c2ccc(N3CCN(c4ccccn4)CC3)c([N+](=O)[O-])c2)c1 | nan | ||
| 44396779 | 66726 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| CHEMBL187209 | 66726 | 0 | None | -17 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | ||
| 168292283 | 192389 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 4 | 3 | 3 | 2.7 | Nc1c(F)cc(C(CO)NC2CCCC2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5200165 | 192389 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 4 | 3 | 3 | 2.7 | Nc1c(F)cc(C(CO)NC2CCCC2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222623 | 192389 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 316 | 4 | 3 | 3 | 2.7 | Nc1c(F)cc(C(CO)NC2CCCC2)cc1Br | 10.1021/acs.jmedchem.1c02006 | ||
| 127047996 | 139116 | 0 | None | -28 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 303 | 8 | 3 | 5 | 2.3 | COc1ccccc1OCCNCCc1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3797758 | 139116 | 0 | None | -28 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 303 | 8 | 3 | 5 | 2.3 | COc1ccccc1OCCNCCc1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| 1132508 | 27928 | 15 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 419 | 3 | 1 | 5 | 6.3 | Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2ccccc2c1Cl | nan | ||
| CHEMBL1373276 | 27928 | 15 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 419 | 3 | 1 | 5 | 6.3 | Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2ccccc2c1Cl | nan | ||
| 4117484 | 48435 | 2 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 386 | 5 | 2 | 5 | 3.0 | CCc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)O)c(O)c2c1 | nan | ||
| CHEMBL1557985 | 48435 | 2 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 386 | 5 | 2 | 5 | 3.0 | CCc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)O)c(O)c2c1 | nan | ||
| 168289238 | 192352 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 304 | 4 | 3 | 5 | 1.2 | CC(C)(C)NC(CO)c1cc(F)c(N)c(S(C)(=O)=O)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5194956 | 192352 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 304 | 4 | 3 | 5 | 1.2 | CC(C)(C)NC(CO)c1cc(F)c(N)c(S(C)(=O)=O)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222430 | 192352 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 304 | 4 | 3 | 5 | 1.2 | CC(C)(C)NC(CO)c1cc(F)c(N)c(S(C)(=O)=O)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 688468 | 141800 | 7 | None | -346 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL388570 | 141800 | 7 | None | -346 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 24820094 | 59402 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 5.1 | Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)s1 | nan | ||
| CHEMBL1723653 | 59402 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 5.1 | Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)s1 | nan | ||
| 90666101 | 108844 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 666 | 18 | 5 | 8 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219031 | 108844 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 666 | 18 | 5 | 8 | 6.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 878337 | 44793 | 4 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 309 | 4 | 2 | 2 | 4.1 | O=C(NC1(Cc2ccc(O)cc2)CCCCC1)c1ccccc1 | nan | ||
| CHEMBL1524289 | 44793 | 4 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 309 | 4 | 2 | 2 | 4.1 | O=C(NC1(Cc2ccc(O)cc2)CCCCC1)c1ccccc1 | nan | ||
| 567055 | 23204 | 10 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 323 | 5 | 2 | 2 | 4.0 | O=C(Cc1ccccc1)NC1(Cc2ccc(O)cc2)CCCCC1 | nan | ||
| CHEMBL1332942 | 23204 | 10 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 323 | 5 | 2 | 2 | 4.0 | O=C(Cc1ccccc1)NC1(Cc2ccc(O)cc2)CCCCC1 | nan | ||
| 2816337 | 46185 | 5 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 441 | 6 | 1 | 7 | 5.9 | C=CCn1c(SCc2ccccc2Cl)nnc1-c1sc2nc(C)cc(C)c2c1N | nan | ||
| CHEMBL1537056 | 46185 | 5 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 441 | 6 | 1 | 7 | 5.9 | C=CCn1c(SCc2ccccc2Cl)nnc1-c1sc2nc(C)cc(C)c2c1N | nan | ||
| 2481225 | 34575 | 6 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 363 | 5 | 1 | 4 | 4.3 | CCOC(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 | nan | ||
| CHEMBL1431082 | 34575 | 6 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 363 | 5 | 1 | 4 | 4.3 | CCOC(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 | nan | ||
| 135799865 | 186008 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 262 | 4 | 4 | 4 | 1.3 | CC(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4878555 | 186008 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 262 | 4 | 4 | 4 | 1.3 | CC(C)NC(CO)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.0c01195 | ||
| 9551438 | 59075 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 389 | 8 | 2 | 5 | 2.8 | O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc(F)cc1 | nan | ||
| CHEMBL1709014 | 59075 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 389 | 8 | 2 | 5 | 2.8 | O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc(F)cc1 | nan | ||
| 10346448 | 119325 | 0 | None | -501 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL348501 | 119325 | 0 | None | -501 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 44441234 | 93356 | 0 | None | -251 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1ccc(-c2occc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247520 | 93356 | 0 | None | -251 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1ccc(-c2occc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 145982386 | 166077 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 339 | 6 | 5 | 5 | 1.7 | Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4280939 | 166077 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 339 | 6 | 5 | 5 | 1.7 | Nc1ccc(CCNC(CO)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1016/j.ejmech.2018.04.041 | ||
| 57395240 | 70153 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946762 | 70153 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 4611324 | 21571 | 8 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 401 | 7 | 1 | 4 | 4.1 | CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| CHEMBL1319108 | 21571 | 8 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 401 | 7 | 1 | 4 | 4.1 | CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | nan | ||
| 24817704 | 43053 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 407 | 7 | 1 | 6 | 3.8 | Cc1ccc(OCc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)no2)cn1 | nan | ||
| CHEMBL1506675 | 43053 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 407 | 7 | 1 | 6 | 3.8 | Cc1ccc(OCc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)no2)cn1 | nan | ||
| 23661589 | 92988 | 0 | None | -12589 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1cccc(-c2sccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245873 | 92988 | 0 | None | -12589 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1cccc(-c2sccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 145987609 | 166648 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c(C(CO)NCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL4291538 | 166648 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 340 | 6 | 5 | 5 | 1.8 | O=c1ccc2c(C(CO)NCCc3cccc(O)c3)ccc(O)c2[nH]1 | 10.1016/j.ejmech.2018.04.041 | ||
| 54580129 | 61466 | 0 | None | -3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 786 | 21 | 6 | 8 | 7.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| CHEMBL1773197 | 61466 | 0 | None | -3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 786 | 21 | 6 | 8 | 7.0 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C | 10.1016/j.bmcl.2010.10.132 | ||
| 3224430 | 35888 | 6 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 3.2 | O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(NC(=O)c2ccccn2)cc1 | nan | ||
| CHEMBL1444240 | 35888 | 6 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 3.2 | O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(NC(=O)c2ccccn2)cc1 | nan | ||
| 10484263 | 58235 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 639 | 16 | 6 | 6 | 6.5 | O=C(Nc1ccccc1-c1ccccc1)NC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683940 | 58235 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 639 | 16 | 6 | 6 | 6.5 | O=C(Nc1ccccc1-c1ccccc1)NC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 667688 | 85372 | 4 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL229477 | 85372 | 4 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 9992825 | 83951 | 16 | None | 125 | 2 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | 10.1021/jm801211c | ||
| CHEMBL2218907 | 83951 | 16 | None | 125 | 2 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | 10.1021/jm801211c | ||
| 53319789 | 58236 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 667 | 16 | 5 | 6 | 7.1 | O=C(Nc1ccccc1-c1ccccc1)O[C@H]1C[N+]2(CCCCCCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)CCC1CC2 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683941 | 58236 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 667 | 16 | 5 | 6 | 7.1 | O=C(Nc1ccccc1-c1ccccc1)O[C@H]1C[N+]2(CCCCCCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)CCC1CC2 | 10.1016/j.bmcl.2011.01.043 | ||
| 10008017 | 99410 | 5 | None | -10 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| CHEMBL285881 | 99410 | 5 | None | -10 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| 648074 | 26853 | 4 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 494 | 7 | 2 | 6 | 3.4 | COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3)C2)cc1 | nan | ||
| CHEMBL1365203 | 26853 | 4 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 494 | 7 | 2 | 6 | 3.4 | COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3)C2)cc1 | nan | ||
| 24789201 | 52168 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 517 | 12 | 3 | 6 | 3.4 | NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1590854 | 52168 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 517 | 12 | 3 | 6 | 3.4 | NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 | nan | ||
| 4870978 | 59372 | 9 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 462 | 7 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3ccccc3nc2O)cc1 | nan | ||
| CHEMBL1722488 | 59372 | 9 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 462 | 7 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3ccccc3nc2O)cc1 | nan | ||
| 998685 | 33802 | 14 | None | -7 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 357 | 4 | 1 | 7 | 3.3 | Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1 | nan | ||
| CHEMBL1424697 | 33802 | 14 | None | -7 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 357 | 4 | 1 | 7 | 3.3 | Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1 | nan | ||
| 667188 | 40333 | 11 | None | 2 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 421 | 6 | 1 | 6 | 5.4 | Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1 | nan | ||
| CHEMBL1483555 | 40333 | 11 | None | 2 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 421 | 6 | 1 | 6 | 5.4 | Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1 | nan | ||
| 658782 | 49841 | 10 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 465 | 4 | 0 | 9 | 1.9 | Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C | nan | ||
| CHEMBL1570111 | 49841 | 10 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 465 | 4 | 0 | 9 | 1.9 | Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C | nan | ||
| 1480945 | 50436 | 13 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 345 | 4 | 0 | 5 | 2.7 | Cc1ccc(CS(=O)(=O)c2nc3c(c(N(C)C)n2)CCCC3)cc1 | nan | ||
| CHEMBL1575889 | 50436 | 13 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 345 | 4 | 0 | 5 | 2.7 | Cc1ccc(CS(=O)(=O)c2nc3c(c(N(C)C)n2)CCCC3)cc1 | nan | ||
| 2977891 | 21603 | 8 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 452 | 5 | 0 | 5 | 1.8 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Br)cc1 | nan | ||
| CHEMBL1319376 | 21603 | 8 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 452 | 5 | 0 | 5 | 1.8 | CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Br)cc1 | nan | ||
| 1155 | 1599 | 45 | None | -2 | 3 | Guinea pig | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| 3343 | 1599 | 45 | None | -2 | 3 | Guinea pig | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| 557 | 1599 | 45 | None | -2 | 3 | Guinea pig | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| CHEMBL32800 | 1599 | 45 | None | -2 | 3 | Guinea pig | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| DB01288 | 1599 | 45 | None | -2 | 3 | Guinea pig | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/jm0704595 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 145985242 | 164993 | 0 | None | -75 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 443 | 11 | 4 | 4 | 3.9 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4241613 | 164993 | 0 | None | -75 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 443 | 11 | 4 | 4 | 3.9 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 141286035 | 192300 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 366 | 4 | 3 | 3 | 3.6 | Nc1c(Br)cc(C(CO)NC2CCCC2)cc1C(F)(F)F | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5190852 | 192300 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 366 | 4 | 3 | 3 | 3.6 | Nc1c(Br)cc(C(CO)NC2CCCC2)cc1C(F)(F)F | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222081 | 192300 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 366 | 4 | 3 | 3 | 3.6 | Nc1c(Br)cc(C(CO)NC2CCCC2)cc1C(F)(F)F | 10.1021/acs.jmedchem.1c02006 | ||
| 9266740 | 30583 | 8 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 3 | 0 | 8 | 3.7 | Cn1nnnc1Sc1ncnc2scc(-c3ccc(Cl)cc3)c12 | nan | ||
| CHEMBL1396351 | 30583 | 8 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 3 | 0 | 8 | 3.7 | Cn1nnnc1Sc1ncnc2scc(-c3ccc(Cl)cc3)c12 | nan | ||
| 1266768 | 33800 | 11 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 365 | 6 | 1 | 7 | 2.5 | CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 | nan | ||
| CHEMBL1424678 | 33800 | 11 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 365 | 6 | 1 | 7 | 2.5 | CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 | nan | ||
| 127046948 | 139540 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800468 | 139540 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 145983266 | 164976 | 0 | None | -2511 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 512 | 14 | 5 | 6 | 2.7 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4241176 | 164976 | 0 | None | -2511 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 512 | 14 | 5 | 6 | 2.7 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 31055126 | 48004 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 404 | 3 | 0 | 8 | 3.8 | Cn1nnnc1Sc1ncnc2scc(-c3ccc(Br)cc3)c12 | nan | ||
| CHEMBL1553183 | 48004 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 404 | 3 | 0 | 8 | 3.8 | Cn1nnnc1Sc1ncnc2scc(-c3ccc(Br)cc3)c12 | nan | ||
| 21977117 | 192330 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 3 | 3 | 4 | 2.3 | CC(C)(C)NC(CO)c1cc(Br)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5194651 | 192330 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 3 | 3 | 4 | 2.3 | CC(C)(C)NC(CO)c1cc(Br)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222287 | 192330 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 311 | 3 | 3 | 4 | 2.3 | CC(C)(C)NC(CO)c1cc(Br)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 53380559 | 63310 | 0 | None | -4265 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800936 | 63310 | 0 | None | -4265 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 24180436 | 92785 | 0 | None | 1 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| CHEMBL244687 | 92785 | 0 | None | 1 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 527 | 10 | 4 | 10 | 2.6 | CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1021/jm0704595 | ||
| 10103414 | 76184 | 13 | None | -13 | 3 | Guinea pig | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL206100 | 76184 | 13 | None | -13 | 3 | Guinea pig | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 10103414 | 76184 | 13 | None | -13 | 3 | Guinea pig | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0704595 | ||
| CHEMBL206100 | 76184 | 13 | None | -13 | 3 | Guinea pig | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0704595 | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| 141486999 | 166138 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 1 | 2 | 4 | 2.1 | Oc1cc2c(cc1O)C(c1ccco1)=NCC2 | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4282215 | 166138 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 229 | 1 | 2 | 4 | 2.1 | Oc1cc2c(cc1O)C(c1ccco1)=NCC2 | 10.1021/acs.jmedchem.0c01195 | ||
| 7334649 | 166704 | 2 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 255 | 2 | 3 | 3 | 2.5 | Oc1cc2c(cc1O)[C@@H](Cc1ccccc1)NCC2 | 10.1021/acs.jnatprod.7b00762 | ||
| CHEMBL4292818 | 166704 | 2 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 255 | 2 | 3 | 3 | 2.5 | Oc1cc2c(cc1O)[C@@H](Cc1ccccc1)NCC2 | 10.1021/acs.jnatprod.7b00762 | ||
| 4968428 | 24186 | 7 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 470 | 9 | 1 | 4 | 4.5 | CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NC(C)C2CC3CCC2C3)ccc1OC | nan | ||
| CHEMBL1341251 | 24186 | 7 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 470 | 9 | 1 | 4 | 4.5 | CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NC(C)C2CC3CCC2C3)ccc1OC | nan | ||
| 664105 | 29566 | 8 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 468 | 4 | 1 | 9 | 2.8 | CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1 | nan | ||
| CHEMBL1387056 | 29566 | 8 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 468 | 4 | 1 | 9 | 2.8 | CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1 | nan | ||
| 5085262 | 28367 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 6 | 1 | 6 | 5.8 | CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccccn3)cc2)no1 | nan | ||
| CHEMBL1376574 | 28367 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 6 | 1 | 6 | 5.8 | CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccccn3)cc2)no1 | nan | ||
| 45484646 | 195618 | 0 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| CHEMBL568667 | 195618 | 0 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 456 | 10 | 6 | 7 | 2.0 | CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2 | 10.1016/j.bmcl.2009.06.104 | ||
| 105 | 3405 | 84 | None | 3 | 3 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| 2083 | 3405 | 84 | None | 3 | 3 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| 558 | 3405 | 84 | None | 3 | 3 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| CHEMBL714 | 3405 | 84 | None | 3 | 3 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| DB01001 | 3405 | 84 | None | 3 | 3 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| 155550544 | 173737 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 388 | 7 | 4 | 4 | 3.6 | O=c1ccc2c(C(O)CNCCCc3ccc4ccccc4c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| CHEMBL4550290 | 173737 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 388 | 7 | 4 | 4 | 3.6 | O=c1ccc2c(C(O)CNCCCc3ccc4ccccc4c3)ccc(O)c2[nH]1 | 10.1016/j.bmc.2018.10.043 | ||
| 44392575 | 64041 | 0 | None | -2 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181300 | 64041 | 0 | None | -2 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 1253647 | 36858 | 9 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 448 | 3 | 0 | 8 | 2.6 | O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | nan | ||
| CHEMBL1452334 | 36858 | 9 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 448 | 3 | 0 | 8 | 2.6 | O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | nan | ||
| 90666104 | 108847 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 682 | 18 | 6 | 9 | 6.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3O)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219034 | 108847 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 682 | 18 | 6 | 9 | 6.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3O)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 10553603 | 99237 | 0 | None | -8 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 1.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(NC(=O)CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL284612 | 99237 | 0 | None | -8 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 1.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(NC(=O)CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 9889072 | 164055 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 433 | 5 | 7 | 9 | -0.3 | OC[C@H]1O[C@@H](Oc2ccc(C[C@H]3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2017.10.011 | ||
| CHEMBL4215907 | 164055 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 433 | 5 | 7 | 9 | -0.3 | OC[C@H]1O[C@@H](Oc2ccc(C[C@H]3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/j.bmc.2017.10.011 | ||
| 3271684 | 38923 | 9 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 436 | 4 | 1 | 8 | 4.9 | CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCC5CCCO5)ncnc4c23)CO1 | nan | ||
| CHEMBL1469574 | 38923 | 9 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 436 | 4 | 1 | 8 | 4.9 | CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCC5CCCO5)ncnc4c23)CO1 | nan | ||
| 1371669 | 37356 | 10 | None | 64 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 373 | 5 | 1 | 5 | 4.5 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1 | nan | ||
| CHEMBL1456621 | 37356 | 10 | None | 64 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 373 | 5 | 1 | 5 | 4.5 | Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1 | nan | ||
| 44309523 | 101719 | 0 | None | -30 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 420 | 10 | 3 | 6 | 2.3 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)cc3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL302803 | 101719 | 0 | None | -30 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 420 | 10 | 3 | 6 | 2.3 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)cc3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 44309272 | 202180 | 0 | None | -181 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 611 | 14 | 6 | 8 | 2.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL68766 | 202180 | 0 | None | -181 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 611 | 14 | 6 | 8 | 2.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 21977091 | 192303 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 337 | 4 | 3 | 4 | 2.9 | N#Cc1cc(C(CO)NC2CCCCC2)cc(Br)c1N | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5186459 | 192303 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 337 | 4 | 3 | 4 | 2.9 | N#Cc1cc(C(CO)NC2CCCCC2)cc(Br)c1N | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222099 | 192303 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 337 | 4 | 3 | 4 | 2.9 | N#Cc1cc(C(CO)NC2CCCCC2)cc(Br)c1N | 10.1021/acs.jmedchem.1c02006 | ||
| 536369 | 42398 | 15 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 293 | 1 | 0 | 1 | 4.5 | CC(=O)N1c2ccccc2C(C)(c2ccccc2)CC1(C)C | nan | ||
| CHEMBL1500954 | 42398 | 15 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 293 | 1 | 0 | 1 | 4.5 | CC(=O)N1c2ccccc2C(C)(c2ccccc2)CC1(C)C | nan | ||
| 3238021 | 45072 | 7 | None | 2 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 445 | 8 | 1 | 6 | 3.3 | COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)NC(C)C)n1 | nan | ||
| CHEMBL1526751 | 45072 | 7 | None | 2 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 445 | 8 | 1 | 6 | 3.3 | COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)NC(C)C)n1 | nan | ||
| 24791686 | 29732 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 392 | 6 | 0 | 3 | 4.5 | CCc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 | nan | ||
| CHEMBL1388401 | 29732 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 392 | 6 | 0 | 3 | 4.5 | CCc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 | nan | ||
| 20954918 | 23410 | 5 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 382 | 6 | 2 | 4 | 3.7 | CCc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 | nan | ||
| CHEMBL1334494 | 23410 | 5 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 382 | 6 | 2 | 4 | 3.7 | CCc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 | nan | ||
| 145983355 | 165248 | 0 | None | -85 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 454 | 12 | 3 | 5 | 3.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4248093 | 165248 | 0 | None | -85 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 454 | 12 | 3 | 5 | 3.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 4296505 | 37580 | 13 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 345 | 5 | 1 | 6 | 2.2 | CCCNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1458548 | 37580 | 13 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 345 | 5 | 1 | 6 | 2.2 | CCCNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 | nan | ||
| 46232974 | 199125 | 5 | None | 27 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| CHEMBL600817 | 199125 | 5 | None | 27 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 | 10.1016/j.bmcl.2009.12.087 | ||
| 5085262 | 28367 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 454 | 6 | 1 | 6 | 5.8 | CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccccn3)cc2)no1 | nan | ||
| CHEMBL1376574 | 28367 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 454 | 6 | 1 | 6 | 5.8 | CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccccn3)cc2)no1 | nan | ||
| 145983711 | 164831 | 0 | None | -2089 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 476 | 12 | 5 | 5 | 3.5 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4237802 | 164831 | 0 | None | -2089 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 476 | 12 | 5 | 5 | 3.5 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 1073012 | 33500 | 18 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 403 | 5 | 0 | 5 | 1.3 | CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL1422244 | 33500 | 18 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 403 | 5 | 0 | 5 | 1.3 | CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | ||
| 89108754 | 192307 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 6 | 3 | 4 | 2.3 | CCCCNC(CO)c1cc(Br)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5196966 | 192307 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 6 | 3 | 4 | 2.3 | CCCCNC(CO)c1cc(Br)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| CHEMBL5222131 | 192307 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 311 | 6 | 3 | 4 | 2.3 | CCCCNC(CO)c1cc(Br)c(N)c(C#N)c1 | 10.1021/acs.jmedchem.1c02006 | ||
| 6491897 | 25358 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 2.8 | O=C(NCCCn1ccnc1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 | nan | ||
| CHEMBL1351178 | 25358 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 2.8 | O=C(NCCCn1ccnc1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 | nan | ||
| 71093373 | 191826 | 0 | None | - | 1 | Guinea pig | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(NC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5208201 | 191826 | 0 | None | - | 1 | Guinea pig | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(NC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 12165 | 898 | 4 | None | - | 1 | Guinea pig | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 764 | 16 | 5 | 12 | 4.7 | O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1 | 10.1021/acs.jmedchem.2c00609 | ||
| 90200922 | 898 | 4 | None | - | 1 | Guinea pig | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 764 | 16 | 5 | 12 | 4.7 | O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5172865 | 898 | 4 | None | - | 1 | Guinea pig | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 764 | 16 | 5 | 12 | 4.7 | O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1 | 10.1021/acs.jmedchem.2c00609 | ||
| 1499 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 3779 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 536 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| CHEMBL434 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| DB01064 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 1499 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| 3779 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| 536 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| CHEMBL434 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| DB01064 | 2060 | 43 | None | -85 | 36 | Dog | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| 1499 | 2060 | 43 | None | 60 | 36 | Rat | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 3779 | 2060 | 43 | None | 60 | 36 | Rat | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 536 | 2060 | 43 | None | 60 | 36 | Rat | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| CHEMBL434 | 2060 | 43 | None | 60 | 36 | Rat | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| DB01064 | 2060 | 43 | None | 60 | 36 | Rat | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 168280960 | 190254 | 0 | None | - | 1 | Guinea pig | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5184455 | 190254 | 0 | None | - | 1 | Guinea pig | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 90213810 | 190669 | 0 | None | - | 1 | Guinea pig | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 750 | 16 | 5 | 11 | 5.6 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)o2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5190387 | 190669 | 0 | None | - | 1 | Guinea pig | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 750 | 16 | 5 | 11 | 5.6 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)o2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 63952 | 8502 | 37 | None | 2 | 2 | Guinea pig | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 368 | 7 | 4 | 5 | 2.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm100068m | ||
| 86306667 | 8502 | 37 | None | 2 | 2 | Guinea pig | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 368 | 7 | 4 | 5 | 2.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm100068m | ||
| CHEMBL1094785 | 8502 | 37 | None | 2 | 2 | Guinea pig | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 368 | 7 | 4 | 5 | 2.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm100068m | ||
| 168287036 | 190910 | 0 | None | - | 1 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2cccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5193853 | 190910 | 0 | None | - | 1 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2cccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 168296356 | 191887 | 0 | None | - | 1 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 751 | 16 | 5 | 12 | 5.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2nc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)co2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5208957 | 191887 | 0 | None | - | 1 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 751 | 16 | 5 | 12 | 5.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2nc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)co2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| 165193 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 2303 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 4946 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 564 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 62882 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 63 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 66366 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 91536 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| CHEMBL27 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| CHEMBL452861 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| DB00571 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 168279881 | 190268 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5184598 | 190268 | 0 | None | - | 1 | Guinea pig | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 165193 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 2303 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 4946 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 564 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 62882 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 63 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 66366 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 91536 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| CHEMBL27 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| CHEMBL452861 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| DB00571 | 3138 | 60 | None | 6 | 13 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.0c00831 | ||
| 204665 | 10140 | 9 | None | 4 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL1160734 | 10140 | 9 | None | 4 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 168290830 | 191358 | 0 | None | - | 1 | Guinea pig | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 790 | 17 | 5 | 11 | 6.0 | COc1cc(C(=O)OCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1COc1cccc([C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5200887 | 191358 | 0 | None | - | 1 | Guinea pig | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 790 | 17 | 5 | 11 | 6.0 | COc1cc(C(=O)OCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1COc1cccc([C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 | 10.1021/acs.jmedchem.2c00609 | ||
| 46221395 | 8444 | 0 | None | 6 | 2 | Guinea pig | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 336 | 4 | 4 | 4 | 2.0 | O=c1ccc2c([C@@H](O)CNC3Cc4ccccc4C3)ccc(O)c2[nH]1 | 10.1021/jm100068m | ||
| CHEMBL1094323 | 8444 | 0 | None | 6 | 2 | Guinea pig | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 336 | 4 | 4 | 4 | 2.0 | O=c1ccc2c([C@@H](O)CNC3Cc4ccccc4C3)ccc(O)c2[nH]1 | 10.1021/jm100068m | ||
| 137 | 367 | 47 | None | 1 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 2119 | 367 | 47 | None | 1 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 563 | 367 | 47 | None | 1 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 66368 | 367 | 47 | None | 1 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL266195 | 367 | 47 | None | 1 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| DB00866 | 367 | 47 | None | 1 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 155539613 | 172278 | 0 | None | 2 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 677 | 24 | 5 | 13 | 2.9 | CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4514723 | 172278 | 0 | None | 2 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 677 | 24 | 5 | 13 | 2.9 | CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 155569481 | 175642 | 0 | None | 8 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4594173 | 175642 | 0 | None | 8 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155518547 | 169723 | 0 | None | 107 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 558 | 20 | 6 | 7 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4446394 | 169723 | 0 | None | 107 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 558 | 20 | 6 | 7 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155559960 | 174322 | 0 | None | 8 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 586 | 22 | 6 | 7 | 3.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4564189 | 174322 | 0 | None | 8 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 586 | 22 | 6 | 7 | 3.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 156010391 | 176552 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 370 | 9 | 3 | 6 | 3.8 | CC(=O)Nc1ccc(/N=N/c2ccccc2OC[C@@H](O)CNC(C)C)cc1 | 10.1021/acs.jmedchem.0c00831 | ||
| CHEMBL4633760 | 176552 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 370 | 9 | 3 | 6 | 3.8 | CC(=O)Nc1ccc(/N=N/c2ccccc2OC[C@@H](O)CNC(C)C)cc1 | 10.1021/acs.jmedchem.0c00831 | ||
| 155530927 | 171031 | 0 | None | 3 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 614 | 24 | 6 | 7 | 4.6 | CC(C)NC[C@H](O)COc1ccccc1CCCCCNC(=O)NCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4465278 | 171031 | 0 | None | 3 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 614 | 24 | 6 | 7 | 4.6 | CC(C)NC[C@H](O)COc1ccccc1CCCCCNC(=O)NCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155559960 | 174322 | 0 | None | 8 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 586 | 22 | 6 | 7 | 3.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4564189 | 174322 | 0 | None | 8 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 586 | 22 | 6 | 7 | 3.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 127034967 | 135965 | 0 | None | 1 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2c(cccc2OCC(O)CN(C)C)N1 | 10.1021/acs.jmedchem.5b01088 | ||
| CHEMBL3736156 | 135965 | 0 | None | 1 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2c(cccc2OCC(O)CN(C)C)N1 | 10.1021/acs.jmedchem.5b01088 | ||
| 24936881 | 17335 | 0 | None | -173 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257913 | 17335 | 0 | None | -173 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 10690668 | 120088 | 0 | None | -478 | 2 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 372 | 9 | 5 | 5 | 2.9 | C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL35459 | 120088 | 0 | None | -478 | 2 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 372 | 9 | 5 | 5 | 2.9 | C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 155535986 | 171535 | 0 | None | 16 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 642 | 25 | 6 | 8 | 3.5 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4472564 | 171535 | 0 | None | 16 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 642 | 25 | 6 | 8 | 3.5 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155545790 | 172913 | 0 | None | 79 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 593 | 18 | 5 | 13 | 1.6 | CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(-c3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4530266 | 172913 | 0 | None | 79 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 593 | 18 | 5 | 13 | 1.6 | CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(-c3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 46889771 | 6916 | 0 | None | -1 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084706 | 6916 | 0 | None | -1 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 52948056 | 17337 | 0 | None | -18 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257915 | 17337 | 0 | None | -18 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52943968 | 17612 | 0 | None | -11 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258824 | 17612 | 0 | None | -11 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 10573759 | 99218 | 0 | None | -20 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(NCC(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL284520 | 99218 | 0 | None | -20 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(NCC(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 155510718 | 168948 | 0 | None | 1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 556 | 23 | 4 | 6 | 6.1 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4434772 | 168948 | 0 | None | 1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 556 | 23 | 4 | 6 | 6.1 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155568878 | 175593 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 457 | 15 | 4 | 5 | 3.3 | COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4593049 | 175593 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 457 | 15 | 4 | 5 | 3.3 | COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155559932 | 174335 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 427 | 14 | 4 | 4 | 3.3 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4564495 | 174335 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 427 | 14 | 4 | 4 | 3.3 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00595 | ||
| 10835216 | 110167 | 0 | None | -251 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 406 | 9 | 5 | 5 | 3.6 | C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32586 | 110167 | 0 | None | -251 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 406 | 9 | 5 | 5 | 3.6 | C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 10693556 | 111852 | 0 | None | -2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 422 | 9 | 5 | 5 | 2.9 | C[C@H](NCCc1ccc(NCC(=O)O)c(Br)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32939 | 111852 | 0 | None | -2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 422 | 9 | 5 | 5 | 2.9 | C[C@H](NCCc1ccc(NCC(=O)O)c(Br)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 9844606 | 109834 | 0 | None | -1000 | 2 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32391 | 109834 | 0 | None | -1000 | 2 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 10666106 | 114035 | 0 | None | -30 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 358 | 9 | 4 | 5 | 2.2 | C[C@H](NCCc1ccc(N(C)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL33360 | 114035 | 0 | None | -30 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 358 | 9 | 4 | 5 | 2.2 | C[C@H](NCCc1ccc(N(C)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 155563970 | 174788 | 0 | None | 20 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 530 | 18 | 6 | 7 | 2.2 | CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4574652 | 174788 | 0 | None | 20 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 530 | 18 | 6 | 7 | 2.2 | CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 9832011 | 105002 | 0 | None | -19 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL312074 | 105002 | 0 | None | -19 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 156009636 | 176591 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 9 | 3 | 6 | 3.8 | CC(=O)Nc1ccc(/N=N/c2cccc(OC[C@@H](O)CNC(C)C)c2)cc1 | 10.1021/acs.jmedchem.0c00831 | ||
| CHEMBL4634403 | 176591 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 9 | 3 | 6 | 3.8 | CC(=O)Nc1ccc(/N=N/c2cccc(OC[C@@H](O)CNC(C)C)c2)cc1 | 10.1021/acs.jmedchem.0c00831 | ||
| 155545790 | 172913 | 0 | None | 79 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 593 | 18 | 5 | 13 | 1.6 | CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(-c3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4530266 | 172913 | 0 | None | 79 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 593 | 18 | 5 | 13 | 1.6 | CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(-c3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 10787873 | 99411 | 0 | None | -3 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL285888 | 99411 | 0 | None | -3 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 105 | 3405 | 84 | None | 3 | 3 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| 2083 | 3405 | 84 | None | 3 | 3 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| 558 | 3405 | 84 | None | 3 | 3 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| CHEMBL714 | 3405 | 84 | None | 3 | 3 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| DB01001 | 3405 | 84 | None | 3 | 3 | Guinea pig | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| 155528927 | 170830 | 0 | None | 6 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 649 | 22 | 5 | 13 | 2.1 | CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4462252 | 170830 | 0 | None | 6 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 649 | 22 | 5 | 13 | 2.1 | CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 155563970 | 174788 | 0 | None | 20 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 530 | 18 | 6 | 7 | 2.2 | CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4574652 | 174788 | 0 | None | 20 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 530 | 18 | 6 | 7 | 2.2 | CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 204665 | 10140 | 9 | None | 4 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL1160734 | 10140 | 9 | None | 4 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 46221603 | 8471 | 0 | None | 7 | 2 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 396 | 6 | 4 | 6 | 2.0 | COc1cc2c(cc1OC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1094486 | 8471 | 0 | None | 7 | 2 | Guinea pig | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 396 | 6 | 4 | 6 | 2.0 | COc1cc2c(cc1OC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 203685 | 30541 | 8 | None | 33 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL1395661 | 30541 | 8 | None | 33 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155544582 | 172808 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 528 | 21 | 4 | 6 | 5.3 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4527821 | 172808 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 528 | 21 | 4 | 6 | 5.3 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155539613 | 172278 | 0 | None | 2 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 677 | 24 | 5 | 13 | 2.9 | CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4514723 | 172278 | 0 | None | 2 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 677 | 24 | 5 | 13 | 2.9 | CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 46221397 | 8615 | 0 | None | -1 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 420 | 8 | 4 | 4 | 3.9 | CCCc1cc2c(cc1CCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1095778 | 8615 | 0 | None | -1 | 2 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 420 | 8 | 4 | 4 | 3.9 | CCCc1cc2c(cc1CCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 52949488 | 17364 | 0 | None | -81 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258023 | 17364 | 0 | None | -81 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 155537285 | 171717 | 0 | None | 14 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 558 | 19 | 6 | 8 | 1.2 | CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4474813 | 171717 | 0 | None | 14 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 558 | 19 | 6 | 8 | 1.2 | CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155557081 | 173968 | 0 | None | 20 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4556017 | 173968 | 0 | None | 20 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 53326195 | 58346 | 0 | None | -144 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684577 | 58346 | 0 | None | -144 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 10672048 | 120599 | 0 | None | -2 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 9 | 5 | 5 | 2.7 | C[C@H](NCCc1ccc(NCC(=O)O)c(I)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL35738 | 120599 | 0 | None | -2 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 9 | 5 | 5 | 2.7 | C[C@H](NCCc1ccc(NCC(=O)O)c(I)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 52944986 | 17431 | 0 | None | -26 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258257 | 17431 | 0 | None | -26 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
| 24936626 | 17227 | 0 | None | -112201 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257555 | 17227 | 0 | None | -112201 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 31729 | 204070 | 6 | None | 7 | 2 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL83063 | 204070 | 6 | None | 7 | 2 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 16717791 | 77262 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 376 | 6 | 3 | 3 | 3.7 | CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088198 | 77262 | 0 | None | - | 1 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 376 | 6 | 3 | 3 | 3.7 | CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 24937269 | 17465 | 0 | None | -9 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258371 | 17465 | 0 | None | -9 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 155515551 | 169409 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 584 | 25 | 4 | 6 | 6.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4441975 | 169409 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 584 | 25 | 4 | 6 | 6.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 52949489 | 17365 | 0 | None | -12 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258024 | 17365 | 0 | None | -12 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 51346867 | 58351 | 0 | None | -616 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684583 | 58351 | 0 | None | -616 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 11797099 | 109973 | 0 | None | -19 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 434 | 11 | 4 | 5 | 3.7 | C[C@H](NCCc1ccc(N(CC(=O)O)Cc2ccccc2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32470 | 109973 | 0 | None | -19 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 434 | 11 | 4 | 5 | 3.7 | C[C@H](NCCc1ccc(N(CC(=O)O)Cc2ccccc2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 11799609 | 114300 | 0 | None | -31 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 500 | 9 | 5 | 5 | 3.7 | C[C@H](NCCc1cc(Br)c(NCC(=O)O)c(Br)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL33399 | 114300 | 0 | None | -31 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 500 | 9 | 5 | 5 | 3.7 | C[C@H](NCCc1cc(Br)c(NCC(=O)O)c(Br)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 155537285 | 171717 | 0 | None | 14 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 558 | 19 | 6 | 8 | 1.2 | CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4474813 | 171717 | 0 | None | 14 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 558 | 19 | 6 | 8 | 1.2 | CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 10283539 | 167302 | 0 | None | -346 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL431048 | 167302 | 0 | None | -346 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| 53319639 | 58350 | 0 | None | -2 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684582 | 58350 | 0 | None | -2 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 156010391 | 176552 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 370 | 9 | 3 | 6 | 3.8 | CC(=O)Nc1ccc(/N=N/c2ccccc2OC[C@@H](O)CNC(C)C)cc1 | 10.1021/acs.jmedchem.0c00831 | ||
| CHEMBL4633760 | 176552 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 370 | 9 | 3 | 6 | 3.8 | CC(=O)Nc1ccc(/N=N/c2ccccc2OC[C@@H](O)CNC(C)C)cc1 | 10.1021/acs.jmedchem.0c00831 | ||
| 14739905 | 206544 | 0 | None | -7 | 2 | Dog | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 353 | 10 | 2 | 6 | 2.3 | OC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1 | 10.1021/jm00172a033 | ||
| CHEMBL98975 | 206544 | 0 | None | -7 | 2 | Dog | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 353 | 10 | 2 | 6 | 2.3 | OC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1 | 10.1021/jm00172a033 | ||
| 44281611 | 99898 | 0 | None | 2 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 402 | 11 | 5 | 6 | 1.6 | C[C@H](NCCc1ccc(N(CC(=O)O)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL289670 | 99898 | 0 | None | 2 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 402 | 11 | 5 | 6 | 1.6 | C[C@H](NCCc1ccc(N(CC(=O)O)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 53326197 | 58352 | 0 | None | -35 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684584 | 58352 | 0 | None | -35 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 155536373 | 171610 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 500 | 19 | 4 | 6 | 4.5 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4473518 | 171610 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 500 | 19 | 4 | 6 | 4.5 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155521390 | 170020 | 0 | None | 128 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 586 | 21 | 6 | 8 | 2.0 | CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4450606 | 170020 | 0 | None | 128 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 586 | 21 | 6 | 8 | 2.0 | CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 2419 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| 5152 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| 559 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| CHEMBL1263 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| DB00938 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| 155510718 | 168948 | 0 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 556 | 23 | 4 | 6 | 6.1 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4434772 | 168948 | 0 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 556 | 23 | 4 | 6 | 6.1 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155536373 | 171610 | 0 | None | 7 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 19 | 4 | 6 | 4.5 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4473518 | 171610 | 0 | None | 7 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 19 | 4 | 6 | 4.5 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155546387 | 172982 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 513 | 18 | 4 | 6 | 3.0 | COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4532142 | 172982 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 513 | 18 | 4 | 6 | 3.0 | COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 70684846 | 77261 | 9 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 394 | 6 | 4 | 4 | 3.2 | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088197 | 77261 | 9 | None | - | 1 | Guinea pig | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 394 | 6 | 4 | 4 | 3.2 | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 24936491 | 17338 | 0 | None | -977 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257916 | 17338 | 0 | None | -977 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 46889854 | 7227 | 0 | None | 9 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1086077 | 7227 | 0 | None | 9 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 9896817 | 102412 | 0 | None | -44 | 3 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL305891 | 102412 | 0 | None | -44 | 3 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 24936492 | 17367 | 0 | None | -323 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258026 | 17367 | 0 | None | -323 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 9929683 | 110823 | 0 | None | -3548 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 378 | 9 | 5 | 5 | 2.8 | C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32670 | 110823 | 0 | None | -3548 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 378 | 9 | 5 | 5 | 2.8 | C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 9853471 | 203146 | 0 | None | -177 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL75604 | 203146 | 0 | None | -177 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 53326196 | 58348 | 0 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684580 | 58348 | 0 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 53326839 | 58349 | 0 | None | -43 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684581 | 58349 | 0 | None | -43 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 9873245 | 4449 | 0 | None | 12 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL102194 | 4449 | 0 | None | 12 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 155528927 | 170830 | 0 | None | 6 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 649 | 22 | 5 | 13 | 2.1 | CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4462252 | 170830 | 0 | None | 6 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 649 | 22 | 5 | 13 | 2.1 | CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 44267518 | 13213 | 1 | None | -1 | 2 | Dog | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL1192069 | 13213 | 1 | None | -1 | 2 | Dog | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL543251 | 13213 | 1 | None | -1 | 2 | Dog | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| 14739906 | 205953 | 0 | None | -16 | 2 | Dog | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 13 | 2 | 7 | 2.5 | COCCc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL95457 | 205953 | 0 | None | -16 | 2 | Dog | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 13 | 2 | 7 | 2.5 | COCCc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| 13208878 | 160693 | 0 | None | 5 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 520 | 20 | 4 | 9 | 2.6 | CC(C)NC[C@H](O)COc1ccccc1OCCOCCOc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL41189 | 160693 | 0 | None | 5 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 520 | 20 | 4 | 9 | 2.6 | CC(C)NC[C@H](O)COc1ccccc1OCCOCCOc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 130400 | 206644 | 9 | None | -19 | 2 | Dog | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL552615 | 206644 | 9 | None | -19 | 2 | Dog | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL99585 | 206644 | 9 | None | -19 | 2 | Dog | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| 46221396 | 8470 | 0 | None | -1 | 2 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 364 | 4 | 4 | 4 | 2.6 | Cc1cc2c(cc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1094483 | 8470 | 0 | None | -1 | 2 | Guinea pig | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 364 | 4 | 4 | 4 | 2.6 | Cc1cc2c(cc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 155544582 | 172808 | 0 | None | 5 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 528 | 21 | 4 | 6 | 5.3 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4527821 | 172808 | 0 | None | 5 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 528 | 21 | 4 | 6 | 5.3 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 137 | 367 | 47 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 2119 | 367 | 47 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 563 | 367 | 47 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 66368 | 367 | 47 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL266195 | 367 | 47 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| DB00866 | 367 | 47 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 155539979 | 172316 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 483 | 17 | 4 | 5 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4515576 | 172316 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 483 | 17 | 4 | 5 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1 | 10.1021/acs.jmedchem.9b00595 | ||
| 165193 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 2303 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 4946 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 564 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 62882 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 63 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 66366 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 91536 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| CHEMBL27 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| CHEMBL452861 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| DB00571 | 3138 | 60 | None | 6 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.5b01088 | ||
| 208932 | 13446 | 8 | None | -43 | 2 | Dog | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL1193886 | 13446 | 8 | None | -43 | 2 | Dog | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL545363 | 13446 | 8 | None | -43 | 2 | Dog | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| 127034966 | 136004 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2cccc(OCC(O)CN(C)C)c2N1 | 10.1021/acs.jmedchem.5b01088 | ||
| CHEMBL3736433 | 136004 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.6 | CB1C=Cc2cccc(OCC(O)CN(C)C)c2N1 | 10.1021/acs.jmedchem.5b01088 | ||
| 14739907 | 163581 | 0 | None | -1 | 2 | Dog | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 367 | 10 | 2 | 6 | 2.6 | Cc1cccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)c1 | 10.1021/jm00172a033 | ||
| CHEMBL421005 | 163581 | 0 | None | -1 | 2 | Dog | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 367 | 10 | 2 | 6 | 2.6 | Cc1cccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)c1 | 10.1021/jm00172a033 | ||
| 11611195 | 13340 | 0 | None | -70 | 3 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| CHEMBL1193081 | 13340 | 0 | None | -70 | 3 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| CHEMBL544427 | 13340 | 0 | None | -70 | 3 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| 11611195 | 13340 | 0 | None | -70 | 3 | Dog | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| CHEMBL1193081 | 13340 | 0 | None | -70 | 3 | Dog | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| CHEMBL544427 | 13340 | 0 | None | -70 | 3 | Dog | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| 24936488 | 17467 | 0 | None | -275 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258373 | 17467 | 0 | None | -275 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 14739908 | 106762 | 0 | None | -1 | 2 | Dog | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 416 | 10 | 3 | 7 | 1.9 | CS(=O)(=O)Nc1ccc(C(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL316868 | 106762 | 0 | None | -1 | 2 | Dog | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 416 | 10 | 3 | 7 | 1.9 | CS(=O)(=O)Nc1ccc(C(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| 156009636 | 176591 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 370 | 9 | 3 | 6 | 3.8 | CC(=O)Nc1ccc(/N=N/c2cccc(OC[C@@H](O)CNC(C)C)c2)cc1 | 10.1021/acs.jmedchem.0c00831 | ||
| CHEMBL4634403 | 176591 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 370 | 9 | 3 | 6 | 3.8 | CC(=O)Nc1ccc(/N=N/c2cccc(OC[C@@H](O)CNC(C)C)c2)cc1 | 10.1021/acs.jmedchem.0c00831 | ||
| 10915880 | 76893 | 0 | None | -10 | 3 | Dog | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL2079599 | 76893 | 0 | None | -10 | 3 | Dog | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 5581 | 101188 | 10 | None | -2 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL299175 | 101188 | 10 | None | -2 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 155515823 | 169456 | 0 | None | 24 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 621 | 20 | 5 | 13 | 1.7 | CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4442559 | 169456 | 0 | None | 24 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 621 | 20 | 5 | 13 | 1.7 | CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 155565922 | 175219 | 0 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 24 | 6 | 8 | 3.1 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4584173 | 175219 | 0 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 24 | 6 | 8 | 3.1 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155569481 | 175642 | 0 | None | 8 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4594173 | 175642 | 0 | None | 8 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 145990586 | 166290 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| CHEMBL4285281 | 166290 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| 155515551 | 169409 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 584 | 25 | 4 | 6 | 6.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4441975 | 169409 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 584 | 25 | 4 | 6 | 6.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 10915880 | 76893 | 0 | None | -10 | 3 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL2079599 | 76893 | 0 | None | -10 | 3 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 10809699 | 111846 | 0 | None | -8 | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 378 | 9 | 5 | 5 | 2.8 | C[C@H](NCCc1ccc(NCC(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32933 | 111846 | 0 | None | -8 | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 378 | 9 | 5 | 5 | 2.8 | C[C@H](NCCc1ccc(NCC(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 155515823 | 169456 | 0 | None | 24 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 621 | 20 | 5 | 13 | 1.7 | CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4442559 | 169456 | 0 | None | 24 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 621 | 20 | 5 | 13 | 1.7 | CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 155564992 | 174943 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 407 | 15 | 4 | 5 | 1.8 | CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4578042 | 174943 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 407 | 15 | 4 | 5 | 1.8 | CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 11810992 | 25903 | 0 | None | -1698 | 3 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL13560 | 25903 | 0 | None | -1698 | 3 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 11791723 | 110076 | 0 | None | -26 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 344 | 9 | 5 | 5 | 2.1 | C[C@H](NCCc1ccc(NCC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32532 | 110076 | 0 | None | -26 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 344 | 9 | 5 | 5 | 2.1 | C[C@H](NCCc1ccc(NCC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 11810992 | 25903 | 0 | None | -1698 | 3 | Dog | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL13560 | 25903 | 0 | None | -1698 | 3 | Dog | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 155518547 | 169723 | 0 | None | 107 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 558 | 20 | 6 | 7 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4446394 | 169723 | 0 | None | 107 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 558 | 20 | 6 | 7 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 4183 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| 6918554 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| 7455 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| CHEMBL1095777 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| DB05039 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| 13208884 | 174063 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 564 | 23 | 4 | 10 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1OCCOCCOCCOc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4557995 | 174063 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 564 | 23 | 4 | 10 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1OCCOCCOCCOc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 46221604 | 8472 | 0 | None | 1 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1ccc(CC)c2c1CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1094487 | 8472 | 0 | None | 1 | 2 | Guinea pig | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1ccc(CC)c2c1CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 203685 | 30541 | 8 | None | 33 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL1395661 | 30541 | 8 | None | 33 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155521390 | 170020 | 0 | None | 128 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 586 | 21 | 6 | 8 | 2.0 | CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4450606 | 170020 | 0 | None | 128 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 586 | 21 | 6 | 8 | 2.0 | CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 53318280 | 58347 | 0 | None | -70 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684578 | 58347 | 0 | None | -70 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 155527605 | 170679 | 0 | None | 213 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 600 | 22 | 6 | 8 | 2.4 | CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4459989 | 170679 | 0 | None | 213 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 600 | 22 | 6 | 8 | 2.4 | CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155532901 | 171245 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 351 | 12 | 4 | 4 | 2.1 | CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4468271 | 171245 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 351 | 12 | 4 | 4 | 2.1 | CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 52947562 | 17505 | 0 | None | -173 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258486 | 17505 | 0 | None | -173 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 567 | 716 | 10 | None | -25 | 7 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| 9841972 | 716 | 10 | None | -25 | 7 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| CHEMBL284782 | 716 | 10 | None | -25 | 7 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| 567 | 716 | 10 | None | -2 | 7 | Dog | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| 9841972 | 716 | 10 | None | -2 | 7 | Dog | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| CHEMBL284782 | 716 | 10 | None | -2 | 7 | Dog | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| 567 | 716 | 10 | None | -25 | 7 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 9841972 | 716 | 10 | None | -25 | 7 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| CHEMBL284782 | 716 | 10 | None | -25 | 7 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 146015362 | 934 | 6 | None | -17378 | 5 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 3462 | 934 | 6 | None | -17378 | 5 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 5486546 | 934 | 6 | None | -17378 | 5 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| CHEMBL1204876 | 934 | 6 | None | -17378 | 5 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 25271869 | 158085 | 2 | None | - | 0 | Human | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4092412 | 158085 | 2 | None | - | 0 | Human | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| 21595418 | 102166 | 0 | None | - | 0 | Guinea pig | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| CHEMBL304344 | 102166 | 0 | None | - | 0 | Guinea pig | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| 165193 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 2303 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 4946 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 564 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 62882 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 63 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 66366 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 91536 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL27 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL452861 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| DB00571 | 3138 | 60 | None | 6 | 13 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 33624 | 3761 | 29 | None | - | 5 | Guinea pig | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| 4061 | 3761 | 29 | None | - | 5 | Guinea pig | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| 565 | 3761 | 29 | None | - | 5 | Guinea pig | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| CHEMBL499 | 3761 | 29 | None | - | 5 | Guinea pig | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| DB00373 | 3761 | 29 | None | - | 5 | Guinea pig | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00350a009 | ||
| 54756927 | 65156 | 0 | None | - | 0 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830486 | 65156 | 0 | None | - | 0 | Human | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 137 | 367 | 47 | None | 1 | 4 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 2119 | 367 | 47 | None | 1 | 4 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 563 | 367 | 47 | None | 1 | 4 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 66368 | 367 | 47 | None | 1 | 4 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| CHEMBL266195 | 367 | 47 | None | 1 | 4 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| DB00866 | 367 | 47 | None | 1 | 4 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 54669764 | 65161 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830491 | 65161 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 145948125 | 167178 | 0 | None | - | 0 | Guinea pig | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 341 | 5 | 2 | 5 | 3.1 | CC(C)(C)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4129458 | 167178 | 0 | None | - | 0 | Guinea pig | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 341 | 5 | 2 | 5 | 3.1 | CC(C)(C)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4302853 | 167178 | 0 | None | - | 0 | Guinea pig | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 341 | 5 | 2 | 5 | 3.1 | CC(C)(C)NCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| 54758417 | 65155 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830485 | 65155 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54757232 | 65185 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830618 | 65185 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 54757126 | 65162 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830492 | 65162 | 0 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54757331 | 65186 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830619 | 65186 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 2176 | 3077 | 66 | None | 1 | 6 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| 4828 | 3077 | 66 | None | 1 | 6 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| 91 | 3077 | 66 | None | 1 | 6 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL500 | 3077 | 66 | None | 1 | 6 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| DB00960 | 3077 | 66 | None | 1 | 6 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| 57334265 | 70514 | 0 | None | - | 1 | Guinea pig | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 538 | 13 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNC[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| CHEMBL1951067 | 70514 | 0 | None | - | 1 | Guinea pig | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 538 | 13 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNC[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.01.013 | ||
| 54757026 | 65159 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830489 | 65159 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 13267804 | 202306 | 0 | None | - | 0 | Guinea pig | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| CHEMBL69635 | 202306 | 0 | None | - | 0 | Guinea pig | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1cccc2ccccc12)[C@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| 54757229 | 65184 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830617 | 65184 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 54756928 | 65157 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830487 | 65157 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 165193 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 2303 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 4946 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 564 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 62882 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 63 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 66366 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 91536 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| CHEMBL27 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| CHEMBL452861 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| DB00571 | 3138 | 60 | None | -9 | 13 | Dog | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00373a008 | ||
| 54757129 | 65163 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830493 | 65163 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 44287476 | 11907 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC(CC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1183311 | 11907 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC(CC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| CHEMBL289858 | 11907 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC(CC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| 44371514 | 11596 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1181235 | 11596 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL160282 | 11596 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 44371562 | 49450 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 257 | 7 | 2 | 5 | 1.2 | CC(C)NCC(O)COC(=O)Cc1cccs1 | 10.1021/jm00387a006 | ||
| CHEMBL156683 | 49450 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 257 | 7 | 2 | 5 | 1.2 | CC(C)NCC(O)COC(=O)Cc1cccs1 | 10.1021/jm00387a006 | ||
| 2685 | 877 | 15 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 541 | 877 | 15 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| CHEMBL280822 | 877 | 15 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 551640 | 201822 | 19 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | CC(C)NCC(O)COCc1ccccc1 | 10.1021/jm00119a011 | ||
| CHEMBL66331 | 201822 | 19 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 223 | 7 | 2 | 3 | 1.6 | CC(C)NCC(O)COCc1ccccc1 | 10.1021/jm00119a011 | ||
| 18047 | 201924 | 18 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00119a011 | ||
| CHEMBL67096 | 201924 | 18 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00119a011 | ||
| 14201557 | 201874 | 0 | None | - | 0 | Guinea pig | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | ||
| CHEMBL66724 | 201874 | 0 | None | - | 0 | Guinea pig | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | ||
| 145947665 | 167121 | 0 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4128794 | 167121 | 0 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4302144 | 167121 | 0 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 405 | 8 | 2 | 6 | 3.5 | COc1ccccc1CNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| 12797747 | 201843 | 2 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 251 | 9 | 2 | 3 | 2.0 | CC(C)NCC(O)COCCCc1ccccc1 | 10.1021/jm00119a011 | ||
| CHEMBL66449 | 201843 | 2 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 251 | 9 | 2 | 3 | 2.0 | CC(C)NCC(O)COCCCc1ccccc1 | 10.1021/jm00119a011 | ||
| 21595422 | 101748 | 0 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| CHEMBL302935 | 101748 | 0 | None | - | 0 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| 56598967 | 87833 | 0 | None | -2238 | 3 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| CHEMBL2348211 | 87833 | 0 | None | -2238 | 3 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| 134495 | 738 | 18 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
| 18026 | 738 | 18 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
| 9809 | 738 | 18 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
| CHEMBL289093 | 738 | 18 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00387a006 | ||
| 134495 | 738 | 18 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
| 18026 | 738 | 18 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
| 9809 | 738 | 18 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
| CHEMBL289093 | 738 | 18 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 10.1021/jm00380a001 | ||
| 3123920 | 2784 | 79 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00119a011 | ||
| 546 | 2784 | 79 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00119a011 | ||
| CHEMBL7154 | 2784 | 79 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00119a011 | ||
| 21595417 | 202201 | 0 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 221 | 4 | 2 | 3 | 1.6 | O[C@H](COc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| CHEMBL68945 | 202201 | 0 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 221 | 4 | 2 | 3 | 1.6 | O[C@H](COc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| 168613 | 60002 | 21 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1 | 10.1021/jm00350a009 | ||
| CHEMBL1744069 | 60002 | 21 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1 | 10.1021/jm00350a009 | ||
| 12733303 | 60074 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 261 | 3 | 1 | 4 | 2.1 | OC(CN1CCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| CHEMBL174882 | 60074 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 261 | 3 | 1 | 4 | 2.1 | OC(CN1CCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| 56597179 | 87841 | 0 | None | -2754 | 3 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348219 | 87841 | 0 | None | -2754 | 3 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 21595419 | 101645 | 0 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| CHEMBL302339 | 101645 | 0 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| 44287498 | 12297 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 214 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL1185760 | 12297 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 214 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL431713 | 12297 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 214 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| 2769826 | 202122 | 22 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(O)COc1ccc2ccccc2c1 | 10.1021/jm00119a011 | ||
| CHEMBL68419 | 202122 | 22 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NCC(O)COc1ccc2ccccc2c1 | 10.1021/jm00119a011 | ||
| 2447484 | 102295 | 2 | None | - | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL305153 | 102295 | 2 | None | - | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 12733301 | 60089 | 1 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 1.7 | CC(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| CHEMBL175010 | 60089 | 1 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 1.7 | CC(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| 1786 | 2484 | 79 | None | - | 6 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 4171 | 2484 | 79 | None | - | 6 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 553 | 2484 | 79 | None | - | 6 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| CHEMBL13 | 2484 | 79 | None | - | 6 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| DB00264 | 2484 | 79 | None | - | 6 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 12733304 | 127715 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 2.5 | OC(CN1CCCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| CHEMBL366558 | 127715 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 275 | 3 | 1 | 4 | 2.5 | OC(CN1CCCCCC1)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| 44287620 | 11121 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 228 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL1178780 | 11121 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 228 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL40971 | 11121 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 228 | 5 | 2 | 4 | 1.7 | CC(C)(C)NCC(O)CON=C1CCCC1 | 10.1021/jm00380a001 | ||
| 12733305 | 60068 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 357 | 8 | 2 | 6 | 2.5 | COc1ccc(CCNCC(O)C2=COc3ccccc3O2)cc1OC | 10.1021/jm00140a015 | ||
| CHEMBL174853 | 60068 | 0 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 357 | 8 | 2 | 6 | 2.5 | COc1ccc(CCNCC(O)C2=COc3ccccc3O2)cc1OC | 10.1021/jm00140a015 | ||
| 145946488 | 166976 | 0 | None | - | 1 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4127540 | 166976 | 0 | None | - | 1 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4300195 | 166976 | 0 | None | - | 1 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 435 | 10 | 2 | 7 | 3.4 | COc1ccccc1OCCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| 2447486 | 62731 | 1 | None | - | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL1788270 | 62731 | 1 | None | - | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 3486 | 3108 | 51 | None | - | 0 | Dog | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| 4883 | 3108 | 51 | None | - | 0 | Dog | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| 555 | 3108 | 51 | None | - | 0 | Dog | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| CHEMBL6995 | 3108 | 51 | None | - | 0 | Dog | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| DB01297 | 3108 | 51 | None | - | 0 | Dog | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00389a008 | ||
| 12606709 | 14228 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 296 | 5 | 2 | 4 | 3.0 | CC(C)(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1161382 | 14228 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 296 | 5 | 2 | 4 | 3.0 | CC(C)(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1200073 | 14228 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 296 | 5 | 2 | 4 | 3.0 | CC(C)(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| 44371383 | 49347 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 257 | 5 | 2 | 5 | 1.7 | CC(C)(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
| CHEMBL156603 | 49347 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 257 | 5 | 2 | 5 | 1.7 | CC(C)(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
| 12606705 | 11825 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 188 | 6 | 2 | 4 | 0.8 | CC(C)=NOCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1182729 | 11825 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 188 | 6 | 2 | 4 | 0.8 | CC(C)=NOCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL263065 | 11825 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 188 | 6 | 2 | 4 | 0.8 | CC(C)=NOCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 44287469 | 11892 | 0 | None | - | 0 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 258 | 9 | 2 | 4 | 2.7 | CCCC(CCC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1183268 | 11892 | 0 | None | - | 0 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 258 | 9 | 2 | 4 | 2.7 | CCCC(CCC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| CHEMBL287766 | 11892 | 0 | None | - | 0 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 258 | 9 | 2 | 4 | 2.7 | CCCC(CCC)=NOCC(O)CNC(C)(C)C | 10.1021/jm00380a001 | ||
| 91565 | 9707 | 18 | None | - | 0 | Dog | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 275 | 6 | 3 | 4 | 2.3 | CC(C)NCC(O)COc1ccc(O)c2ccccc12 | 10.1021/jm00373a008 | ||
| CHEMBL1137 | 9707 | 18 | None | - | 0 | Dog | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 275 | 6 | 3 | 4 | 2.3 | CC(C)NCC(O)COc1ccc(O)c2ccccc12 | 10.1021/jm00373a008 | ||
| 54757027 | 65160 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830490 | 65160 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54756929 | 65158 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830488 | 65158 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 165193 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| 2303 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| 4946 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| 564 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| 62882 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| 63 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| 66366 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| 91536 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL27 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL452861 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| DB00571 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2018.04.038 | ||
| 44371406 | 11559 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 278 | 9 | 2 | 4 | 2.4 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1181107 | 11559 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 278 | 9 | 2 | 4 | 2.4 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL155714 | 11559 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 278 | 9 | 2 | 4 | 2.4 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 145947927 | 167189 | 0 | None | - | 1 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4130151 | 167189 | 0 | None | - | 1 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4302997 | 167189 | 0 | None | - | 1 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 419 | 9 | 2 | 6 | 3.5 | COc1ccccc1CCNCC(O)COc1cccc2c(=O)c3ccccc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| 12606706 | 92801 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL24480 | 92801 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL555848 | 92801 | 0 | None | - | 0 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 44287622 | 11896 | 0 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 258 | 7 | 2 | 4 | 2.4 | CC(C)C(=NOCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1183276 | 11896 | 0 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 258 | 7 | 2 | 4 | 2.4 | CC(C)C(=NOCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00380a001 | ||
| CHEMBL288140 | 11896 | 0 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 258 | 7 | 2 | 4 | 2.4 | CC(C)C(=NOCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00380a001 | ||
| 44307782 | 201866 | 3 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 223 | 6 | 1 | 3 | 1.8 | CC(C)N(C)CC(O)COc1ccccc1 | 10.1021/jm00119a011 | ||
| CHEMBL66662 | 201866 | 3 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 223 | 6 | 1 | 3 | 1.8 | CC(C)N(C)CC(O)COc1ccccc1 | 10.1021/jm00119a011 | ||
| 44371537 | 50397 | 0 | None | - | 0 | Guinea pig | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 243 | 6 | 2 | 4 | 1.5 | CC(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
| CHEMBL157557 | 50397 | 0 | None | - | 0 | Guinea pig | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 243 | 6 | 2 | 4 | 1.5 | CC(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
| 21595423 | 201821 | 0 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| CHEMBL66324 | 201821 | 0 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 263 | 7 | 2 | 3 | 2.1 | O[C@H](COCCCc1ccccc1)[C@@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| 44371561 | 49449 | 0 | None | - | 0 | Guinea pig | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 257 | 5 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
| CHEMBL156682 | 49449 | 0 | None | - | 0 | Guinea pig | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 257 | 5 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)COC(=O)C1CCCCC1 | 10.1021/jm00387a006 | ||
| 44371312 | 48993 | 2 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 5 | 2 | 4 | 0.7 | CCC(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
| CHEMBL156304 | 48993 | 2 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 203 | 5 | 2 | 4 | 0.7 | CCC(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
| 5311116 | 2303 | 6 | None | -4365 | 3 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 544 | 2303 | 6 | None | -4365 | 3 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| CHEMBL207802 | 2303 | 6 | None | -4365 | 3 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 14856222 | 172080 | 0 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 217 | 5 | 2 | 4 | 0.9 | CC(C)C(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
| CHEMBL449651 | 172080 | 0 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 217 | 5 | 2 | 4 | 0.9 | CC(C)C(=O)OCC(O)CNC(C)(C)C | 10.1021/jm00387a006 | ||
| 44381395 | 59176 | 0 | None | - | 0 | Dog | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 289 | 6 | 2 | 5 | 1.2 | CC(C)NCC(O)COC1=CC(=O)C(=O)c2ccccc21 | 10.1021/jm00373a008 | ||
| CHEMBL171432 | 59176 | 0 | None | - | 0 | Dog | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 289 | 6 | 2 | 5 | 1.2 | CC(C)NCC(O)COC1=CC(=O)C(=O)c2ccccc21 | 10.1021/jm00373a008 | ||
| 44371486 | 14131 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1161387 | 14131 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1199437 | 14131 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 230 | 7 | 2 | 4 | 1.9 | CCC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 44287431 | 11124 | 0 | None | - | 0 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 244 | 8 | 2 | 4 | 2.0 | CC(C)NCC(O)CON=C(C(C)C)C(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1178793 | 11124 | 0 | None | - | 0 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 244 | 8 | 2 | 4 | 2.0 | CC(C)NCC(O)CON=C(C(C)C)C(C)C | 10.1021/jm00380a001 | ||
| CHEMBL41839 | 11124 | 0 | None | - | 0 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 244 | 8 | 2 | 4 | 2.0 | CC(C)NCC(O)CON=C(C(C)C)C(C)C | 10.1021/jm00380a001 | ||
| 165193 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| 2303 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| 4946 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| 564 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| 62882 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| 63 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| 66366 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| 91536 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| CHEMBL27 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| CHEMBL452861 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| DB00571 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00119a011 | ||
| 21595421 | 162916 | 0 | None | - | 0 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1cccc(OC[C@@H](O)[C@@H]2CCCCN2)c1 | 10.1021/jm00119a011 | ||
| CHEMBL419994 | 162916 | 0 | None | - | 0 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1cccc(OC[C@@H](O)[C@@H]2CCCCN2)c1 | 10.1021/jm00119a011 | ||
| 165193 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 2303 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 4946 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 564 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 62882 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 63 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 66366 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 91536 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL27 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL452861 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| DB00571 | 3138 | 60 | None | -22 | 13 | Guinea pig | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00180a007 | ||
| 54758320 | 65187 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830620 | 65187 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| 44371512 | 11566 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 292 | 8 | 2 | 4 | 2.8 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1181139 | 11566 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 292 | 8 | 2 | 4 | 2.8 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL156871 | 11566 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 292 | 8 | 2 | 4 | 2.8 | C/C(CCc1ccccc1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 44276727 | 96865 | 0 | None | - | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | ||
| CHEMBL26917 | 96865 | 0 | None | - | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | ||
| 12606710 | 13285 | 0 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 204 | 6 | 3 | 4 | 0.7 | CC(C)NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1192661 | 13285 | 0 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 204 | 6 | 3 | 4 | 0.7 | CC(C)NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL543940 | 13285 | 0 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 204 | 6 | 3 | 4 | 0.7 | CC(C)NOCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 3486 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| 4883 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| 555 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| CHEMBL6995 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| DB01297 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00387a006 | ||
| 3486 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| 4883 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| 555 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| CHEMBL6995 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| DB01297 | 3108 | 51 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00380a001 | ||
| 12606684 | 95628 | 3 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1161388 | 95628 | 3 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL26003 | 95628 | 3 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 14201547 | 201871 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| CHEMBL66702 | 201871 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 235 | 5 | 2 | 3 | 1.7 | O[C@H](COCc1ccccc1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| 12606701 | 11123 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| CHEMBL1178787 | 11123 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| CHEMBL41378 | 11123 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| 110857 | 12111 | 55 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 133 | 4 | 3 | 3 | -0.7 | CC(C)NCC(O)CO | 10.1021/jm00180a007 | ||
| CHEMBL1184370 | 12111 | 55 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 133 | 4 | 3 | 3 | -0.7 | CC(C)NCC(O)CO | 10.1021/jm00180a007 | ||
| CHEMBL346539 | 12111 | 55 | None | - | 0 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 133 | 4 | 3 | 3 | -0.7 | CC(C)NCC(O)CO | 10.1021/jm00180a007 | ||
| 12606685 | 11562 | 0 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 189 | 7 | 2 | 3 | 1.0 | CC(C)COCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1181117 | 11562 | 0 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 189 | 7 | 2 | 3 | 1.0 | CC(C)COCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL156258 | 11562 | 0 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 189 | 7 | 2 | 3 | 1.0 | CC(C)COCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 12606702 | 11908 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL1161383 | 11908 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL1183312 | 11908 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL289868 | 11908 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| 1531 | 2235 | 64 | None | - | 7 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| 3869 | 2235 | 64 | None | - | 7 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| 7207 | 2235 | 64 | None | - | 7 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| CHEMBL429 | 2235 | 64 | None | - | 7 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| DB00598 | 2235 | 64 | None | - | 7 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 10.1021/jm00156a019 | ||
| 44287467 | 11119 | 0 | None | - | 0 | Guinea pig | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC(CC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1178777 | 11119 | 0 | None | - | 0 | Guinea pig | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC(CC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| CHEMBL40626 | 11119 | 0 | None | - | 0 | Guinea pig | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 216 | 8 | 2 | 4 | 1.5 | CCC(CC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| 145947241 | 167071 | 0 | None | - | 1 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4128940 | 167071 | 0 | None | - | 1 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4301544 | 167071 | 0 | None | - | 1 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 449 | 10 | 2 | 7 | 3.5 | COc1ccc(CCNCC(O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC | 10.1016/j.bmc.2018.04.038 | ||
| 12606708 | 12969 | 0 | None | - | 0 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 282 | 6 | 2 | 4 | 2.6 | CC(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1190195 | 12969 | 0 | None | - | 0 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 282 | 6 | 2 | 4 | 2.6 | CC(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| CHEMBL540337 | 12969 | 0 | None | - | 0 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 282 | 6 | 2 | 4 | 2.6 | CC(C)NCC(O)CO/N=C1\CC2CCC1(C)C2(C)C | 10.1021/jm00180a007 | ||
| 12606686 | 92427 | 3 | None | - | 0 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1161385 | 92427 | 3 | None | - | 0 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL24391 | 92427 | 3 | None | - | 0 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 44371642 | 48953 | 0 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 203 | 6 | 2 | 4 | 0.5 | CC(C)NCC(O)COC(=O)C(C)C | 10.1021/jm00387a006 | ||
| CHEMBL156271 | 48953 | 0 | None | - | 0 | Guinea pig | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 203 | 6 | 2 | 4 | 0.5 | CC(C)NCC(O)COC(=O)C(C)C | 10.1021/jm00387a006 | ||
| 165193 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 2303 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 4946 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 564 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 62882 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 63 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 66366 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 91536 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| CHEMBL27 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| CHEMBL452861 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| DB00571 | 3138 | 60 | None | -22 | 13 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00140a015 | ||
| 361497 | 48815 | 2 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 243 | 6 | 2 | 5 | 1.3 | CC(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
| CHEMBL156147 | 48815 | 2 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 243 | 6 | 2 | 5 | 1.3 | CC(C)NCC(O)COC(=O)c1cccs1 | 10.1021/jm00387a006 | ||
| 21595420 | 202017 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1ccc(OC[C@@H](O)[C@@H]2CCCCN2)cc1 | 10.1021/jm00119a011 | ||
| CHEMBL67631 | 202017 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 235 | 4 | 2 | 3 | 1.9 | Cc1ccc(OC[C@@H](O)[C@@H]2CCCCN2)cc1 | 10.1021/jm00119a011 | ||
| 127940 | 203176 | 4 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
| CHEMBL7585 | 203176 | 4 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 351 | 8 | 4 | 3 | 2.9 | CC(CCc1ccccc1)NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1 | 10.1021/jm00156a019 | ||
| 44371426 | 14192 | 0 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 216 | 6 | 2 | 4 | 1.5 | CC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1161384 | 14192 | 0 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 216 | 6 | 2 | 4 | 1.5 | CC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1199902 | 14192 | 0 | None | - | 0 | Guinea pig | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 216 | 6 | 2 | 4 | 1.5 | CC/C(C)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 123686 | 1950 | 44 | None | -74 | 3 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 12581 | 1950 | 44 | None | -74 | 3 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| CHEMBL11268 | 1950 | 44 | None | -74 | 3 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 157717 | 59926 | 33 | None | - | 1 | Guinea pig | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
| CHEMBL1741004 | 59926 | 33 | None | - | 1 | Guinea pig | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
| CHEMBL2062339 | 59926 | 33 | None | - | 1 | Guinea pig | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
| 44287522 | 11120 | 0 | None | - | 0 | Guinea pig | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 244 | 10 | 2 | 4 | 2.3 | CCCC(CCC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| CHEMBL1178778 | 11120 | 0 | None | - | 0 | Guinea pig | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 244 | 10 | 2 | 4 | 2.3 | CCCC(CCC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| CHEMBL40783 | 11120 | 0 | None | - | 0 | Guinea pig | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 244 | 10 | 2 | 4 | 2.3 | CCCC(CCC)=NOCC(O)CNC(C)C | 10.1021/jm00380a001 | ||
| 4408839 | 13675 | 32 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 202 | 4 | 3 | 3 | 1.1 | CC(C)(C)NCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1195496 | 13675 | 32 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 202 | 4 | 3 | 3 | 1.1 | CC(C)(C)NCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL554669 | 13675 | 32 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 202 | 4 | 3 | 3 | 1.1 | CC(C)(C)NCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 145947596 | 167138 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 355 | 5 | 2 | 5 | 3.4 | Cc1cccc2c(=O)c3ccc(OCC(O)CNC(C)(C)C)cc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4128231 | 167138 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 355 | 5 | 2 | 5 | 3.4 | Cc1cccc2c(=O)c3ccc(OCC(O)CNC(C)(C)C)cc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| CHEMBL4302343 | 167138 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 355 | 5 | 2 | 5 | 3.4 | Cc1cccc2c(=O)c3ccc(OCC(O)CNC(C)(C)C)cc3oc12 | 10.1016/j.bmc.2018.04.038 | ||
| 121848 | 130188 | 4 | None | - | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL368457 | 130188 | 4 | None | - | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 155774 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 2848 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 538 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| CHEMBL75753 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| DB13781 | 4033 | 33 | None | -64 | 3 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 2840793 | 201935 | 27 | None | - | 0 | Guinea pig | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00119a011 | ||
| CHEMBL67151 | 201935 | 27 | None | - | 0 | Guinea pig | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00119a011 | ||
| 54758415 | 65188 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830621 | 65188 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| 56598831 | 88713 | 0 | None | -1023 | 3 | Human | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348220 | 88713 | 0 | None | -1023 | 3 | Human | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2365796 | 88713 | 0 | None | -1023 | 3 | Human | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 12606701 | 11123 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL1178787 | 11123 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| CHEMBL41378 | 11123 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 228 | 6 | 2 | 4 | 1.7 | CC(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00380a001 | ||
| 12778441 | 77963 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL2110257 | 77963 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 11768868 | 13050 | 4 | None | - | 0 | Guinea pig | 4.1 | pKd | = | 4.1 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.4 | COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1190805 | 13050 | 4 | None | - | 0 | Guinea pig | 4.1 | pKd | = | 4.1 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.4 | COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL541607 | 13050 | 4 | None | - | 0 | Guinea pig | 4.1 | pKd | = | 4.1 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.4 | COCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 12606703 | 13474 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 276 | 8 | 2 | 4 | 2.5 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1194069 | 13474 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 276 | 8 | 2 | 4 | 2.5 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL545575 | 13474 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 276 | 8 | 2 | 4 | 2.5 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 90831 | 12116 | 32 | None | - | 0 | Guinea pig | 4.1 | pKd | = | 4.1 | Functional | ChEMBL | 147 | 3 | 3 | 3 | -0.3 | CC(C)(C)NCC(O)CO | 10.1021/jm00180a007 | ||
| CHEMBL1184387 | 12116 | 32 | None | - | 0 | Guinea pig | 4.1 | pKd | = | 4.1 | Functional | ChEMBL | 147 | 3 | 3 | 3 | -0.3 | CC(C)(C)NCC(O)CO | 10.1021/jm00180a007 | ||
| CHEMBL347002 | 12116 | 32 | None | - | 0 | Guinea pig | 4.1 | pKd | = | 4.1 | Functional | ChEMBL | 147 | 3 | 3 | 3 | -0.3 | CC(C)(C)NCC(O)CO | 10.1021/jm00180a007 | ||
| 44307572 | 201365 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | ||
| CHEMBL63582 | 201365 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 235 | 4 | 1 | 3 | 1.9 | CN1CCCC[C@H]1[C@H](O)COc1ccccc1 | 10.1021/jm00119a011 | ||
| 66653268 | 87823 | 0 | None | -3311 | 3 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| CHEMBL2348201 | 87823 | 0 | None | -3311 | 3 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| 14201539 | 201829 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| CHEMBL66384 | 201829 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 271 | 4 | 2 | 3 | 2.7 | O[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1 | 10.1021/jm00119a011 | ||
| 12733302 | 165790 | 1 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 249 | 3 | 2 | 4 | 2.0 | CC(C)(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| CHEMBL427310 | 165790 | 1 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 249 | 3 | 2 | 4 | 2.0 | CC(C)(C)NCC(O)C1=COc2ccccc2O1 | 10.1021/jm00140a015 | ||
| 12606702 | 11908 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| CHEMBL1161383 | 11908 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| CHEMBL1183312 | 11908 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| CHEMBL289868 | 11908 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 242 | 5 | 2 | 4 | 2.1 | CC(C)(C)NCC(O)CON=C1CCCCC1 | 10.1021/jm00180a007 | ||
| 12778440 | 59856 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL173976 | 59856 | 0 | None | - | 0 | Guinea pig | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 338 | 7 | 2 | 4 | 3.6 | CCC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 56598832 | 87840 | 0 | None | -4365 | 3 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348218 | 87840 | 0 | None | -4365 | 3 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 44371389 | 12109 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 202 | 7 | 2 | 4 | 1.1 | CC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1184362 | 12109 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 202 | 7 | 2 | 4 | 1.1 | CC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL346326 | 12109 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 202 | 7 | 2 | 4 | 1.1 | CC/C(C)=N\OCC(O)CNC(C)C | 10.1021/jm00180a007 | ||
| 12606704 | 14201 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 290 | 7 | 2 | 4 | 2.8 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1161386 | 14201 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 290 | 7 | 2 | 4 | 2.8 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1199951 | 14201 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 290 | 7 | 2 | 4 | 2.8 | CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)(C)C | 10.1021/jm00180a007 | ||
| 157716 | 40275 | 40 | None | - | 0 | Guinea pig | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
| CHEMBL148306 | 40275 | 40 | None | - | 0 | Guinea pig | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 | 10.1021/jm00350a009 | ||
| 12606687 | 12115 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 175 | 6 | 2 | 3 | 0.8 | CC(C)NCC(O)COC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL1184385 | 12115 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 175 | 6 | 2 | 3 | 0.8 | CC(C)NCC(O)COC(C)C | 10.1021/jm00180a007 | ||
| CHEMBL346972 | 12115 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 175 | 6 | 2 | 3 | 0.8 | CC(C)NCC(O)COC(C)C | 10.1021/jm00180a007 | ||
| 36811 | 1426 | 34 | None | -3 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| 535 | 1426 | 34 | None | -3 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| 937 | 1426 | 34 | None | -3 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| CHEMBL926 | 1426 | 34 | None | -3 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| DB00841 | 1426 | 34 | None | -3 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | ||
| 1155 | 1599 | 45 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 3343 | 1599 | 45 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 557 | 1599 | 45 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| CHEMBL32800 | 1599 | 45 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| DB01288 | 1599 | 45 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 2419 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 5152 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 559 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| CHEMBL1263 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| DB00938 | 3407 | 80 | None | -22 | 6 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 1499 | 2060 | 43 | None | -165 | 36 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | None | -165 | 36 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | None | -165 | 36 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | None | -165 | 36 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | None | -165 | 36 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 65772 | 216007 | 0 | None | -1 | 3 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COC1=CC(C[C@@H]2NCCC3=CC(O)=C(O)C=C23)=CC(OC)=C1OC | None | ||
| 688570 | 186278 | 18 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | None | ||
| CHEMBL489553 | 186278 | 18 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | None | ||
| 688563 | 215998 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 290 | 5 | 4 | 4 | 2.0 | CC[C@@H](NC(C)C)[C@@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1 | None | ||
| 3083544 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 4943 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 7479 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| CHEMBL1363 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| DB01274 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 10184665 | 3928 | 48 | None | 44 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| 4799 | 3928 | 48 | None | 44 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| 7353 | 3928 | 48 | None | 44 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| CHEMBL1198857 | 3928 | 48 | None | 44 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| DB09082 | 3928 | 48 | None | 44 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| 1499 | 2060 | 43 | None | -72 | 36 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | None | -72 | 36 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | None | -72 | 36 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | None | -72 | 36 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | None | -72 | 36 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3083544 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 4943 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 7479 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| CHEMBL1363 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| DB01274 | 462 | 46 | None | -1 | 4 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 12065 | 621 | 21 | None | 6 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 19875286 | ||
| 45483813 | 621 | 21 | None | 6 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 19875286 | ||
| CHEMBL579394 | 621 | 21 | None | 6 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | Guide to Pharmacology | 370 | 6 | 4 | 5 | 2.7 | Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O | 19875286 | ||
| 1239 | 1647 | 46 | None | -1 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| 3410 | 1647 | 46 | None | -1 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| 3465 | 1647 | 46 | None | -1 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| CHEMBL1256786 | 1647 | 46 | None | -1 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| DB00983 | 1647 | 46 | None | -1 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 20590599 | ||
| 9512 | 3579 | 35 | None | -316 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| 9887812 | 3579 | 35 | None | -316 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| CHEMBL208427 | 3579 | 35 | None | -316 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| DB06190 | 3579 | 35 | None | -316 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| 3464 | 3123 | 29 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 20590599 | ||
| 4916 | 3123 | 29 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 20590599 | ||
| CHEMBL160519 | 3123 | 29 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 20590599 | ||
| DB01366 | 3123 | 29 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 20590599 | ||
| 10184665 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 20462258 | ||
| 4799 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 20462258 | ||
| 7353 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 20462258 | ||
| CHEMBL1198857 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 20462258 | ||
| DB09082 | 3928 | 48 | None | 44 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 20462258 | ||
| 3466 | 4078 | 38 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 378 | 8 | 4 | 5 | 2.4 | OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C | 20590599 | ||
| 37990 | 4078 | 38 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 378 | 8 | 4 | 5 | 2.4 | OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C | 20590599 | ||
| CHEMBL1243407 | 4078 | 38 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 378 | 8 | 4 | 5 | 2.4 | OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C | 20590599 | ||
| 2419 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | Guide to Pharmacology | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 20590599 | ||
| 5152 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | Guide to Pharmacology | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 20590599 | ||
| 559 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | Guide to Pharmacology | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 20590599 | ||
| CHEMBL1263 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | Guide to Pharmacology | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 20590599 | ||
| DB00938 | 3407 | 80 | None | 17 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | Guide to Pharmacology | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 20590599 | ||
| 4382 | 2503 | 0 | None | -758 | 3 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| 7445 | 2503 | 0 | None | -758 | 3 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| 9865528 | 2503 | 0 | None | -758 | 3 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| CHEMBL2095212 | 2503 | 0 | None | -758 | 3 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| DB08893 | 2503 | 0 | None | -758 | 3 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| 443372 | 10138 | 23 | None | -3 | 8 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL1160723 | 10138 | 23 | None | -3 | 8 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL2062275 | 10138 | 23 | None | -3 | 8 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| 1499 | 2060 | 43 | None | -85 | 36 | Dog | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | None | -85 | 36 | Dog | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | None | -85 | 36 | Dog | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | None | -85 | 36 | Dog | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | None | -85 | 36 | Dog | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 1155 | 1599 | 45 | None | -2 | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 3343 | 1599 | 45 | None | -2 | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 557 | 1599 | 45 | None | -2 | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| CHEMBL32800 | 1599 | 45 | None | -2 | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| DB01288 | 1599 | 45 | None | -2 | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 165193 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | None | -9 | 13 | Dog | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4183 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| 6918554 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| 7455 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| CHEMBL1095777 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| DB05039 | 1994 | 62 | None | -2 | 4 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| 11504295 | 2878 | 40 | None | 1047 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | Guide to Pharmacology | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 20371707 | ||
| 4814 | 2878 | 40 | None | 1047 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | Guide to Pharmacology | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 20371707 | ||
| 7543 | 2878 | 40 | None | 1047 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | Guide to Pharmacology | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 20371707 | ||
| CHEMBL605846 | 2878 | 40 | None | 1047 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | Guide to Pharmacology | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 20371707 | ||
| DB09080 | 2878 | 40 | None | 1047 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | Guide to Pharmacology | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | 20371707 | ||
| 12582 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 19245211 | ||
| 12582 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
| 12582 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | ||
| 2783 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 19245211 | ||
| 2783 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
| 2783 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | ||
| CHEMBL49080 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 19245211 | ||
| CHEMBL49080 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
| CHEMBL49080 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | ||
| DB01407 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 19245211 | ||
| DB01407 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 20590599 | ||
| DB01407 | 937 | 40 | None | -23 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 25324048 | ||
| 134495 | 738 | 18 | None | - | 1 | Rat | 6.5 | pKB | = | 6.5 | Functional | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 15908513 | ||
| 18026 | 738 | 18 | None | - | 1 | Rat | 6.5 | pKB | = | 6.5 | Functional | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 15908513 | ||
| 9809 | 738 | 18 | None | - | 1 | Rat | 6.5 | pKB | = | 6.5 | Functional | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 15908513 | ||
| CHEMBL289093 | 738 | 18 | None | - | 1 | Rat | 6.5 | pKB | = | 6.5 | Functional | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 15908513 | ||
| 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 |
| 9892481 | 69890 | 11 | None | - | 2 | Guinea pig | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1940832 | 69890 | 11 | None | - | 2 | Guinea pig | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 3083544 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| 4943 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| 7479 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL1363 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| DB01274 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| 3083544 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| 4943 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| 7479 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL1363 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| DB01274 | 462 | 46 | None | - | 5 | Guinea pig | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.11.028 | ||
| 10372836 | 101925 | 34 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 739 | 13 | 6 | 9 | 6.4 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.8b01520 | ||
| CHEMBL3039518 | 101925 | 34 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 739 | 13 | 6 | 9 | 6.4 | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.8b01520 | ||
| 54591014 | 145237 | 3 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 810 | 15 | 6 | 13 | 6.1 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.8b01520 | ||
| CHEMBL3916700 | 145237 | 3 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 810 | 15 | 6 | 13 | 6.1 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1021/acs.jmedchem.8b01520 | ||
| 71558565 | 166883 | 5 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 742 | 14 | 5 | 13 | 5.0 | CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | 10.1021/acs.jmedchem.8b01520 | ||
| CHEMBL4297483 | 166883 | 5 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 742 | 14 | 5 | 13 | 5.0 | CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | 10.1021/acs.jmedchem.8b01520 | ||
| 155531077 | 171054 | 2 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 669 | 10 | 4 | 10 | 4.4 | CC(C)c1ncc(C(=O)N2CCOC3(CCN(Cc4ccc(F)c(CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)sc56)c4)CC3)C2)s1 | 10.1021/acs.jmedchem.8b01520 | ||
| CHEMBL4465556 | 171054 | 2 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 669 | 10 | 4 | 10 | 4.4 | CC(C)c1ncc(C(=O)N2CCOC3(CCN(Cc4ccc(F)c(CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)sc56)c4)CC3)C2)s1 | 10.1021/acs.jmedchem.8b01520 | ||
| 11962616 | 219 | 7 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | ||
| 9326 | 219 | 7 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL3039530 | 219 | 7 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | ||
| DB12100 | 219 | 7 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 10.1021/acs.jmedchem.0c01195 | ||
| 22337156 | 87128 | 0 | None | - | 0 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 553 | 14 | 4 | 8 | 4.1 | COc1ccc(C2=NN(CCCCCCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.11.058 | ||
| CHEMBL2335415 | 87128 | 0 | None | - | 0 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 553 | 14 | 4 | 8 | 4.1 | COc1ccc(C2=NN(CCCCCCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.11.058 | ||
| 71562381 | 87125 | 0 | None | - | 0 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 497 | 10 | 4 | 8 | 2.6 | COc1ccc(C2=NN(CCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.11.058 | ||
| CHEMBL2335412 | 87125 | 0 | None | - | 0 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 497 | 10 | 4 | 8 | 2.6 | COc1ccc(C2=NN(CCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.11.058 | ||
| 71562382 | 87126 | 0 | None | - | 0 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 525 | 12 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.11.058 | ||
| CHEMBL2335413 | 87126 | 0 | None | - | 0 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 525 | 12 | 4 | 8 | 3.4 | COc1ccc(C2=NN(CCCCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.11.058 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 71562383 | 87127 | 0 | None | - | 0 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 539 | 13 | 4 | 8 | 3.7 | COc1ccc(C2=NN(CCCCCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.11.058 | ||
| CHEMBL2335414 | 87127 | 0 | None | - | 0 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 539 | 13 | 4 | 8 | 3.7 | COc1ccc(C2=NN(CCCCCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2012.11.058 | ||
| 72948092 | 103793 | 0 | None | - | 0 | Guinea pig | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 700 | 19 | 4 | 9 | 6.2 | COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL3099249 | 103793 | 0 | None | - | 0 | Guinea pig | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 700 | 19 | 4 | 9 | 6.2 | COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| 72948092 | 103793 | 0 | None | - | 0 | Guinea pig | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 700 | 19 | 4 | 9 | 6.2 | COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL3099249 | 103793 | 0 | None | - | 0 | Guinea pig | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 700 | 19 | 4 | 9 | 6.2 | COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| 1239 | 1647 | 46 | None | - | 4 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3410 | 1647 | 46 | None | - | 4 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3465 | 1647 | 46 | None | - | 4 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1256786 | 1647 | 46 | None | - | 4 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00983 | 1647 | 46 | None | - | 4 | Guinea pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 71562034 | 87123 | 0 | None | - | 0 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 563 | 14 | 5 | 8 | 4.7 | COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCCCNCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2012.11.058 | ||
| CHEMBL2335410 | 87123 | 0 | None | - | 0 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 563 | 14 | 5 | 8 | 4.7 | COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCCCNCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2012.11.058 | ||
| 10128077 | 111777 | 0 | None | - | 0 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290997 | 111777 | 0 | None | - | 0 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 9871386 | 111779 | 4 | None | - | 1 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290999 | 111779 | 4 | None | - | 1 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 72947900 | 103794 | 0 | None | - | 0 | Guinea pig | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 672 | 17 | 4 | 9 | 5.4 | COc1ccc(C2=NN(CCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL3099250 | 103794 | 0 | None | - | 0 | Guinea pig | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 672 | 17 | 4 | 9 | 5.4 | COc1ccc(C2=NN(CCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| 72947900 | 103794 | 0 | None | - | 0 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 672 | 17 | 4 | 9 | 5.4 | COc1ccc(C2=NN(CCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL3099250 | 103794 | 0 | None | - | 0 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 672 | 17 | 4 | 9 | 5.4 | COc1ccc(C2=NN(CCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| 127045855 | 139134 | 0 | None | 1 | 6 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3797876 | 139134 | 0 | None | 1 | 6 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 127046950 | 139515 | 0 | None | 3 | 6 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3800303 | 139515 | 0 | None | 3 | 6 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 15133334 | 118080 | 0 | None | - | 0 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 471 | 5 | 3 | 6 | 3.2 | COc1cc(CC2NCCc3cc(O)c(O)c(I)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL341654 | 118080 | 0 | None | - | 0 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 471 | 5 | 3 | 6 | 3.2 | COc1cc(CC2NCCc3cc(O)c(O)c(I)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 164612037 | 184795 | 0 | None | -1 | 20 | Human | 4.9 | pEC50 | = | 4.9 | 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 | -1 | 20 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| 10217757 | 111778 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290998 | 111778 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 72947901 | 103795 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 686 | 18 | 4 | 9 | 5.8 | COc1ccc(C2=NN(CCCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL3099251 | 103795 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 686 | 18 | 4 | 9 | 5.8 | COc1ccc(C2=NN(CCCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| 44610056 | 123473 | 0 | None | - | 5 | Guinea pig | 7.9 | pEC50 | = | 7.9 | 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 | - | 5 | Guinea pig | 7.9 | pEC50 | = | 7.9 | 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 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| 146025802 | 169011 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4435895 | 169011 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 146025803 | 175603 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4593181 | 175603 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 15133335 | 35070 | 0 | None | - | 0 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 413 | 5 | 3 | 6 | 3.6 | COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL143645 | 35070 | 0 | None | - | 0 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 413 | 5 | 3 | 6 | 3.6 | COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 127045853 | 139263 | 0 | None | 20 | 6 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3798748 | 139263 | 0 | None | 20 | 6 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 127045855 | 139134 | 0 | None | 1 | 6 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3797876 | 139134 | 0 | None | 1 | 6 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 443372 | 10138 | 23 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1160723 | 10138 | 23 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL2062275 | 10138 | 23 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 10310047 | 111771 | 0 | None | - | 2 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290991 | 111771 | 0 | None | - | 2 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 146025803 | 175603 | 0 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4593181 | 175603 | 0 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 2419 | 3407 | 80 | None | - | 6 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2015.10.008 | ||
| 5152 | 3407 | 80 | None | - | 6 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2015.10.008 | ||
| 559 | 3407 | 80 | None | - | 6 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2015.10.008 | ||
| CHEMBL1263 | 3407 | 80 | None | - | 6 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2015.10.008 | ||
| DB00938 | 3407 | 80 | None | - | 6 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2015.10.008 | ||
| 71562033 | 87122 | 0 | None | - | 0 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 549 | 13 | 5 | 8 | 4.3 | COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCCNCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2012.11.058 | ||
| CHEMBL2335409 | 87122 | 0 | None | - | 0 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 549 | 13 | 5 | 8 | 4.3 | COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCCNCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2012.11.058 | ||
| 127045855 | 139134 | 0 | None | 1 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3797876 | 139134 | 0 | None | 1 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| 102262219 | 139529 | 0 | None | 12 | 6 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800400 | 139529 | 0 | None | 12 | 6 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 127047221 | 139400 | 0 | None | -3 | 6 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3799593 | 139400 | 0 | None | -3 | 6 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| 15133333 | 37031 | 0 | None | - | 0 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 471 | 5 | 3 | 6 | 3.2 | COc1cc(CC2NCCc3c2cc(O)c(O)c3I)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL145381 | 37031 | 0 | None | - | 0 | Guinea pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 471 | 5 | 3 | 6 | 3.2 | COc1cc(CC2NCCc3c2cc(O)c(O)c3I)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 10339796 | 121167 | 0 | None | - | 0 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 381 | 5 | 3 | 6 | 2.8 | COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL358648 | 121167 | 0 | None | - | 0 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 381 | 5 | 3 | 6 | 2.8 | COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 443372 | 10138 | 23 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1160723 | 10138 | 23 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL2062275 | 10138 | 23 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 44328703 | 10133 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1160694 | 10133 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 5581 | 101188 | 10 | None | 1 | 7 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL299175 | 101188 | 10 | None | 1 | 7 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 127046950 | 139515 | 0 | None | 3 | 6 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800303 | 139515 | 0 | None | 3 | 6 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 127045855 | 139134 | 0 | None | 1 | 6 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3797876 | 139134 | 0 | None | 1 | 6 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 1499 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.11.058 | ||
| 3779 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.11.058 | ||
| 536 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.11.058 | ||
| CHEMBL434 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.11.058 | ||
| DB01064 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2012.11.058 | ||
| 82021510 | 169157 | 2 | None | - | 0 | Guinea pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 221 | 2 | 3 | 3 | 2.3 | CC(C)CC1NCCc2cc(O)c(O)cc21 | 10.1021/acs.jnatprod.9b00418 | ||
| CHEMBL4438390 | 169157 | 2 | None | - | 0 | Guinea pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 221 | 2 | 3 | 3 | 2.3 | CC(C)CC1NCCc2cc(O)c(O)cc21 | 10.1021/acs.jnatprod.9b00418 | ||
| 13720716 | 62724 | 0 | None | 1 | 2 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL1788251 | 62724 | 0 | None | 1 | 2 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 71562154 | 87124 | 0 | None | - | 0 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 577 | 15 | 5 | 8 | 5.1 | COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCCCCNCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2012.11.058 | ||
| CHEMBL2335411 | 87124 | 0 | None | - | 0 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 577 | 15 | 5 | 8 | 5.1 | COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCCCCNCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2012.11.058 | ||
| 71562032 | 87121 | 0 | None | - | 0 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 535 | 12 | 5 | 8 | 3.9 | COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCNCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2012.11.058 | ||
| CHEMBL2335408 | 87121 | 0 | None | - | 0 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 535 | 12 | 5 | 8 | 3.9 | COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCNCC(O)c1ccc(O)c(CO)c1 | 10.1016/j.bmcl.2012.11.058 | ||
| 2419 | 3407 | 80 | None | - | 6 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 5152 | 3407 | 80 | None | - | 6 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 559 | 3407 | 80 | None | - | 6 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1263 | 3407 | 80 | None | - | 6 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00938 | 3407 | 80 | None | - | 6 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 1499 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| 3779 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| 536 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL434 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| DB01064 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| 1499 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| 3779 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| 536 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL434 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| DB01064 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.11.028 | ||
| 44328703 | 10133 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1160694 | 10133 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 13720717 | 77498 | 0 | None | 3 | 2 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL2092996 | 77498 | 0 | None | 3 | 2 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 168290235 | 192366 | 0 | None | -4 | 20 | Human | 4.5 | pEC50 | = | 4.5 | 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 | -4 | 20 | Human | 4.5 | pEC50 | = | 4.5 | 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 | -4 | 20 | Human | 4.5 | pEC50 | = | 4.5 | 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 | ||
| 168295528 | 192429 | 0 | None | -1 | 20 | Human | 4.4 | pEC50 | = | 4.4 | 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 | -1 | 20 | Human | 4.4 | pEC50 | = | 4.4 | 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 | -1 | 20 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 127046950 | 139515 | 0 | None | 3 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3800303 | 139515 | 0 | None | 3 | 6 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 443372 | 10138 | 23 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1160723 | 10138 | 23 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL2062275 | 10138 | 23 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 72947902 | 103792 | 0 | None | - | 0 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 700 | 19 | 4 | 9 | 6.2 | COc1ccc(C2=NN(CCCCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL3099248 | 103792 | 0 | None | - | 0 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 700 | 19 | 4 | 9 | 6.2 | COc1ccc(C2=NN(CCCCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| 72947902 | 103792 | 0 | None | - | 0 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 700 | 19 | 4 | 9 | 6.2 | COc1ccc(C2=NN(CCCCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| CHEMBL3099248 | 103792 | 0 | None | - | 0 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 700 | 19 | 4 | 9 | 6.2 | COc1ccc(C2=NN(CCCCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC | 10.1016/j.bmcl.2013.11.028 | ||
| 24764458 | 108854 | 2 | None | - | 1 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 716 | 18 | 6 | 9 | 6.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| CHEMBL3219042 | 108854 | 2 | None | - | 1 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 716 | 18 | 6 | 9 | 6.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O | 10.1039/C1MD00140J | ||
| 127046950 | 139515 | 0 | None | 3 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3800303 | 139515 | 0 | None | 3 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 127046948 | 139540 | 0 | None | 13 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800468 | 139540 | 0 | None | 13 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 127045854 | 139034 | 0 | None | 13 | 6 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3797205 | 139034 | 0 | None | 13 | 6 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 443372 | 10138 | 23 | None | -1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1160723 | 10138 | 23 | None | -1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL2062275 | 10138 | 23 | None | -1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 127045855 | 139134 | 0 | None | 1 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3797876 | 139134 | 0 | None | 1 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 146025802 | 169011 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4435895 | 169011 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 168294767 | 192417 | 0 | None | -1 | 20 | Human | 4.2 | pEC50 | = | 4.2 | 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 | -1 | 20 | Human | 4.2 | pEC50 | = | 4.2 | 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 | -1 | 20 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 127046951 | 139372 | 0 | None | 11 | 6 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3799427 | 139372 | 0 | None | 11 | 6 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 1499 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| 3779 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| 536 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| CHEMBL434 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| DB01064 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jnatprod.9b00418 | ||
| 127046950 | 139515 | 0 | None | 3 | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3800303 | 139515 | 0 | None | 3 | 6 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 146025802 | 169011 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4435895 | 169011 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 44328703 | 10133 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1160694 | 10133 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 162647610 | 179351 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 849 | 14 | 7 | 10 | 7.1 | COc1cccc(Nc2c(C(N)=O)ccc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(C#CCCCNC[C@@H](O)c6ccc(O)c7[nH]c(=O)ccc67)cc5)c4)cc23)c1 | 10.1021/acs.jmedchem.9b02170 | ||
| CHEMBL4746212 | 179351 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 849 | 14 | 7 | 10 | 7.1 | COc1cccc(Nc2c(C(N)=O)ccc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(C#CCCCNC[C@@H](O)c6ccc(O)c7[nH]c(=O)ccc67)cc5)c4)cc23)c1 | 10.1021/acs.jmedchem.9b02170 | ||
| 177511 | 101072 | 20 | None | - | 2 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 255 | 2 | 3 | 3 | 2.5 | Oc1cc2c(cc1O)C(Cc1ccccc1)NCC2 | 10.1021/acs.jnatprod.9b00418 | ||
| CHEMBL298285 | 101072 | 20 | None | - | 2 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 255 | 2 | 3 | 3 | 2.5 | Oc1cc2c(cc1O)C(Cc1ccccc1)NCC2 | 10.1021/acs.jnatprod.9b00418 | ||
| 68550025 | 110997 | 2 | None | - | 1 | Guinea pig | 8.9 | pED50 | = | 8.9 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | CC(C)(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00215a014 | ||
| CHEMBL3247803 | 110997 | 2 | None | - | 1 | Guinea pig | 8.9 | pED50 | = | 8.9 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | CC(C)(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00215a014 | ||
| CHEMBL3277145 | 110997 | 2 | None | - | 1 | Guinea pig | 8.9 | pED50 | = | 8.9 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | CC(C)(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00215a014 | ||
| 25104 | 10097 | 19 | None | 467 | 2 | Guinea pig | 8.9 | pED50 | = | 8.9 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | CC(C)(C)NCC(O)c1ccc(O)c(O)c1 | 10.1021/jm00220a007 | ||
| CHEMBL1159715 | 10097 | 19 | None | 467 | 2 | Guinea pig | 8.9 | pED50 | = | 8.9 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | CC(C)(C)NCC(O)c1ccc(O)c(O)c1 | 10.1021/jm00220a007 | ||
| 21484489 | 112103 | 0 | None | - | 0 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 332 | 7 | 4 | 6 | 0.9 | CC(C)(C)NCC(O)COc1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm00215a014 | ||
| CHEMBL3247801 | 112103 | 0 | None | - | 0 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 332 | 7 | 4 | 6 | 0.9 | CC(C)(C)NCC(O)COc1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm00215a014 | ||
| CHEMBL3301974 | 112103 | 0 | None | - | 0 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 332 | 7 | 4 | 6 | 0.9 | CC(C)(C)NCC(O)COc1ccc(O)c(NS(C)(=O)=O)c1 | 10.1021/jm00215a014 | ||
| 1499 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00215a014 | ||
| 3779 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00215a014 | ||
| 536 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00215a014 | ||
| CHEMBL434 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00215a014 | ||
| DB01064 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00215a014 | ||
| 1499 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00220a007 | ||
| 3779 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00220a007 | ||
| 536 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00220a007 | ||
| CHEMBL434 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00220a007 | ||
| DB01064 | 2060 | 43 | None | -9 | 17 | Guinea pig | 8.2 | pED50 | = | 8.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00220a007 | ||
| 443372 | 10138 | 23 | None | -1 | 3 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL1160723 | 10138 | 23 | None | -1 | 3 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | nan | ||
| CHEMBL2062275 | 10138 | 23 | None | -1 | 3 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | nan | ||
| 688468 | 141800 | 7 | None | 190 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL388570 | 141800 | 7 | None | 190 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 16735257 | 85304 | 0 | None | 151 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| CHEMBL228992 | 85304 | 0 | None | 151 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| 57398562 | 70017 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945036 | 70017 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901141 | 70195 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947157 | 70195 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 2585 | 790 | 100 | None | 1 | 22 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 522 | 790 | 100 | None | 1 | 22 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 551 | 790 | 100 | None | 1 | 22 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| CHEMBL723 | 790 | 100 | None | 1 | 22 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| DB01136 | 790 | 100 | None | 1 | 22 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 33624 | 3761 | 29 | None | 1 | 9 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| 4061 | 3761 | 29 | None | 1 | 9 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| 565 | 3761 | 29 | None | 1 | 9 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| CHEMBL499 | 3761 | 29 | None | 1 | 9 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| DB00373 | 3761 | 29 | None | 1 | 9 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| 49864396 | 15463 | 0 | None | - | 3 | Guinea pig | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1221682 | 15463 | 0 | None | - | 3 | Guinea pig | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 54673702 | 149099 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 814 | 15 | 6 | 14 | 5.6 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2c1OCC(=O)N2 | nan | ||
| CHEMBL3947244 | 149099 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 814 | 15 | 6 | 14 | 5.6 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2c1OCC(=O)N2 | nan | ||
| 1239 | 1647 | 46 | None | - | 4 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| 3410 | 1647 | 46 | None | - | 4 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| 3465 | 1647 | 46 | None | - | 4 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1256786 | 1647 | 46 | None | - | 4 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| DB00983 | 1647 | 46 | None | - | 4 | Guinea pig | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2013.01.044 | ||
| 24901144 | 69986 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944691 | 69986 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900872 | 70019 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945038 | 70019 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 2176 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 4828 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 91 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| CHEMBL500 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| DB00960 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 24901210 | 69985 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944690 | 69985 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901209 | 70012 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945031 | 70012 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| 57400446 | 70159 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 11 | 4 | 5 | 5.3 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946768 | 70159 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 11 | 4 | 5 | 5.3 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmc.2016.03.006 | ||
| 5311179 | 1943 | 18 | None | 85 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1016/j.bmc.2016.11.014 | ||
| 543 | 1943 | 18 | None | 85 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1016/j.bmc.2016.11.014 | ||
| 5484725 | 1943 | 18 | None | 85 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1016/j.bmc.2016.11.014 | ||
| CHEMBL1233766 | 1943 | 18 | None | 85 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1016/j.bmc.2016.11.014 | ||
| CHEMBL198059 | 1943 | 18 | None | 85 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1016/j.bmc.2016.11.014 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 39468 | 2280 | 33 | None | 3 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| 431 | 2280 | 33 | None | 3 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| 570 | 2280 | 33 | None | 3 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| CHEMBL1201237 | 2280 | 33 | None | 3 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| DB01210 | 2280 | 33 | None | 3 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| 24901211 | 69988 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944693 | 69988 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900426 | 70018 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945037 | 70018 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57393349 | 70189 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 523 | 11 | 4 | 5 | 6.2 | C[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947151 | 70189 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 523 | 11 | 4 | 5 | 6.2 | C[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 44186438 | 185764 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | ||
| CHEMBL487508 | 185764 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | ||
| 24900813 | 70023 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945042 | 70023 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 71278078 | 143957 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 796 | 15 | 6 | 12 | 6.2 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)[C@](O)(c3cccs3)C3CCCC3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3906808 | 143957 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 796 | 15 | 6 | 12 | 6.2 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)[C@](O)(c3cccs3)C3CCCC3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 16735272 | 85385 | 0 | None | 46 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229614 | 85385 | 0 | None | 46 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm8007618 | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm8007618 | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm8007618 | ||
| 54673528 | 152224 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 790 | 15 | 6 | 11 | 6.1 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)[C@](O)(c3ccccc3)C3CCCC3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3973386 | 152224 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 790 | 15 | 6 | 11 | 6.1 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)[C@](O)(c3ccccc3)C3CCCC3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 44583033 | 184948 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 9 | 4 | 5 | 2.2 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1021/jm900364m | ||
| CHEMBL486278 | 184948 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 9 | 4 | 5 | 2.2 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1021/jm900364m | ||
| 121347973 | 151096 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 732 | 14 | 5 | 13 | 4.6 | CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4c3OCC(=O)N4)ccc21)[C@H]1CC[C@H](OC(=O)[C@](O)(c2cccs2)C2CCCC2)CC1 | nan | ||
| CHEMBL3963770 | 151096 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 732 | 14 | 5 | 13 | 4.6 | CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4c3OCC(=O)N4)ccc21)[C@H]1CC[C@H](OC(=O)[C@](O)(c2cccs2)C2CCCC2)CC1 | nan | ||
| 145990586 | 166290 | 0 | None | 1 | 11 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| CHEMBL4285281 | 166290 | 0 | None | 1 | 11 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| 53380559 | 63310 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL1800936 | 63310 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 71565927 | 146128 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 758 | 12 | 4 | 11 | 6.3 | CN(CCCn1c(=O)oc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C2(C)c3ccccc3Oc3ccccc32)CC1 | nan | ||
| CHEMBL3923686 | 146128 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 758 | 12 | 4 | 11 | 6.3 | CN(CCCn1c(=O)oc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C2(C)c3ccccc3Oc3ccccc32)CC1 | nan | ||
| 16735495 | 85359 | 0 | None | 14 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229401 | 85359 | 0 | None | 14 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 127 | 3078 | 45 | None | -2 | 15 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 688095 | 3078 | 45 | None | -2 | 15 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| CHEMBL117405 | 3078 | 45 | None | -2 | 15 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 24900942 | 70046 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945299 | 70046 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 54591014 | 145237 | 3 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 810 | 15 | 6 | 13 | 6.1 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3916700 | 145237 | 3 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 810 | 15 | 6 | 13 | 6.1 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 53379897 | 63315 | 0 | None | 40 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL1800961 | 63315 | 0 | None | 40 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 24901349 | 69987 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944692 | 69987 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901351 | 69989 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944694 | 69989 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901347 | 69990 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944695 | 69990 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901413 | 70013 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945032 | 70013 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901143 | 70022 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945041 | 70022 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57403815 | 70193 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 539 | 11 | 5 | 6 | 5.7 | C[C@@H](NCc1ccccc1-c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947155 | 70193 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 539 | 11 | 5 | 6 | 5.7 | C[C@@H](NCc1ccccc1-c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 44268249 | 19314 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 331 | 9 | 4 | 5 | 2.4 | C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12994 | 19314 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 331 | 9 | 4 | 5 | 2.4 | C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 24900424 | 70194 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 11 | 5 | 6 | 5.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947156 | 70194 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 11 | 5 | 6 | 5.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 155566405 | 175364 | 0 | None | 3 | 2 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 21 | 3 | 8 | 0.8 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCN | 10.1039/C8MD00412A | ||
| CHEMBL4587648 | 175364 | 0 | None | 3 | 2 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 21 | 3 | 8 | 0.8 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCN | 10.1039/C8MD00412A | ||
| 44268273 | 96633 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL267306 | 96633 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | ||
| 46882084 | 5704 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078695 | 5704 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 57395241 | 70154 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 448 | 11 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946763 | 70154 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 448 | 11 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 44307166 | 102248 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 570 | 11 | 3 | 5 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL304878 | 102248 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 570 | 11 | 3 | 5 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298315 | 192695 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 454 | 11 | 1 | 6 | 5.5 | CCCCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL52407 | 192695 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 454 | 11 | 1 | 6 | 5.5 | CCCCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44335833 | 5506 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 448 | 9 | 3 | 6 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL107681 | 5506 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 448 | 9 | 3 | 6 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | ||
| 44335498 | 107057 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 447 | 9 | 3 | 5 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL318802 | 107057 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 447 | 9 | 3 | 5 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | ||
| 44301866 | 100109 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 606 | 18 | 3 | 7 | 6.7 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291593 | 100109 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 606 | 18 | 3 | 7 | 6.7 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| 10438390 | 201711 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL65513 | 201711 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 14998852 | 55389 | 0 | None | - | 0 | Dog | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL162182 | 55389 | 0 | None | - | 0 | Dog | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| 12043155 | 99281 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 549 | 14 | 3 | 8 | 4.8 | CC(C)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL284965 | 99281 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 549 | 14 | 3 | 8 | 4.8 | CC(C)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44281276 | 99357 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 549 | 15 | 3 | 8 | 4.9 | CCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL285481 | 99357 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 549 | 15 | 3 | 8 | 4.9 | CCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44377315 | 57077 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 605 | 14 | 3 | 6 | 5.4 | O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL165177 | 57077 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 605 | 14 | 3 | 6 | 5.4 | O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44377687 | 57143 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 579 | 16 | 3 | 6 | 5.0 | CCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL165513 | 57143 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 579 | 16 | 3 | 6 | 5.0 | CCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 44377316 | 119557 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 5.0 | O=C1N(CCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL350590 | 119557 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 5.0 | O=C1N(CCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 1499 | 2060 | 43 | None | - | 17 | Dog | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| 3779 | 2060 | 43 | None | - | 17 | Dog | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| 536 | 2060 | 43 | None | - | 17 | Dog | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| CHEMBL434 | 2060 | 43 | None | - | 17 | Dog | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| DB01064 | 2060 | 43 | None | - | 17 | Dog | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| 44306985 | 202024 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 460 | 11 | 4 | 7 | 2.2 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67672 | 202024 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 460 | 11 | 4 | 7 | 2.2 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44268572 | 25461 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 572 | 16 | 6 | 8 | 2.9 | COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13521 | 25461 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 572 | 16 | 6 | 8 | 2.9 | COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44285225 | 153042 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 562 | 13 | 3 | 7 | 5.8 | CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL39804 | 153042 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 562 | 13 | 3 | 7 | 5.8 | CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44298781 | 100227 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 443 | 10 | 1 | 3 | 5.3 | CCCCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL292407 | 100227 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 443 | 10 | 1 | 3 | 5.3 | CCCCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 44298695 | 100468 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 414 | 10 | 1 | 3 | 5.1 | CCCCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL294008 | 100468 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 414 | 10 | 1 | 3 | 5.1 | CCCCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 44335496 | 4733 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 335 | 8 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104127 | 4733 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 335 | 8 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44335628 | 4767 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 498 | 12 | 4 | 7 | 3.7 | CCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104222 | 4767 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 498 | 12 | 4 | 7 | 3.7 | CCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44335603 | 106946 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 538 | 16 | 4 | 6 | 5.0 | CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL318165 | 106946 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 538 | 16 | 4 | 6 | 5.0 | CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44335651 | 108072 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 431 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL320228 | 108072 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 431 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44377412 | 119649 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 580 | 15 | 4 | 9 | 3.0 | CCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL351467 | 119649 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 580 | 15 | 4 | 9 | 3.0 | CCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44281037 | 112839 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 479 | 10 | 3 | 8 | 3.1 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL33168 | 112839 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 479 | 10 | 3 | 8 | 3.1 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44377755 | 119449 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 589 | 13 | 3 | 8 | 4.0 | O=c1n(CCCC(F)(F)F)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL349689 | 119449 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 589 | 13 | 3 | 8 | 4.0 | O=c1n(CCCC(F)(F)F)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 57403553 | 69858 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 420 | 13 | 8 | 8 | 0.8 | OCc1cc(C(O)CNCCCCNCC(O)c2ccc(O)c(CO)c2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940682 | 69858 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 420 | 13 | 8 | 8 | 0.8 | OCc1cc(C(O)CNCCCCNCC(O)c2ccc(O)c(CO)c2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 9956562 | 69866 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 474 | 12 | 8 | 8 | 1.8 | OCc1cc(C(O)CNCC2CCCC(CNCC(O)c3ccc(O)c(CO)c3)C2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940808 | 69866 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 474 | 12 | 8 | 8 | 1.8 | OCc1cc(C(O)CNCC2CCCC(CNCC(O)c3ccc(O)c(CO)c3)C2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 44298767 | 100432 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 553 | 15 | 4 | 6 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL293818 | 100432 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 553 | 15 | 4 | 6 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | ||
| 10553898 | 168870 | 0 | None | - | 0 | Dog | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 400 | 8 | 2 | 4 | 3.3 | OC(CNc1ccc(I)cc1)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
| CHEMBL44261 | 168870 | 0 | None | - | 0 | Dog | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 400 | 8 | 2 | 4 | 3.3 | OC(CNc1ccc(I)cc1)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
| 24229559 | 163619 | 53 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 185 | 2 | 1 | 3 | 1.6 | NCc1ccc(-c2ncccn2)cc1 | 10.1021/acs.jmedchem.9b01581 | ||
| CHEMBL4210507 | 163619 | 53 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 185 | 2 | 1 | 3 | 1.6 | NCc1ccc(-c2ncccn2)cc1 | 10.1021/acs.jmedchem.9b01581 | ||
| 44461488 | 203664 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL79915 | 203664 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(99)00072-4 | ||
| 57400044 | 69869 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 496 | 14 | 8 | 8 | 1.8 | OCc1cc(C(O)CNCCc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940811 | 69869 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 496 | 14 | 8 | 8 | 1.8 | OCc1cc(C(O)CNCCc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 208932 | 13446 | 8 | None | - | 0 | Dog | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | ||
| CHEMBL1193886 | 13446 | 8 | None | - | 0 | Dog | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | ||
| CHEMBL545363 | 13446 | 8 | None | - | 0 | Dog | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | ||
| 9962058 | 203074 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL74860 | 203074 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 50994950 | 136578 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 450 | 7 | 2 | 5 | 3.5 | CCOC(=O)C1CCN(C(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3747487 | 136578 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 450 | 7 | 2 | 5 | 3.5 | CCOC(=O)C1CCN(C(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| 44268367 | 20637 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 1.9 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13102 | 20637 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 1.9 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 53495160 | 174390 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 850 | 14 | 7 | 11 | 6.5 | COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(C#CCCCNC[C@H](O)c6ccc(O)c7[nH]c(=O)ccc67)cc5)c4)cc23)c1 | 10.1021/acs.jmedchem.8b01520 | ||
| CHEMBL4565954 | 174390 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 850 | 14 | 7 | 11 | 6.5 | COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(C#CCCCNC[C@H](O)c6ccc(O)c7[nH]c(=O)ccc67)cc5)c4)cc23)c1 | 10.1021/acs.jmedchem.8b01520 | ||
| 10437614 | 100475 | 6 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL294042 | 100475 | 6 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44307340 | 102122 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 470 | 12 | 4 | 7 | 2.6 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL304090 | 102122 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 470 | 12 | 4 | 7 | 2.6 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44268464 | 19213 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 585 | 17 | 5 | 8 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL12939 | 19213 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 585 | 17 | 5 | 8 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44268478 | 162264 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 561 | 13 | 5 | 7 | 4.0 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL417250 | 162264 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 561 | 13 | 5 | 7 | 4.0 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| 46881750 | 7145 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 401 | 8 | 4 | 5 | 3.1 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085693 | 7145 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 401 | 8 | 4 | 5 | 3.1 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881576 | 7762 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 9 | 3 | 6 | 3.3 | O=C(Cc1nc2ccccc2o1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089725 | 7762 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 9 | 3 | 6 | 3.3 | O=C(Cc1nc2ccccc2o1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 9992825 | 83951 | 16 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | 10.1021/jm801211c | ||
| CHEMBL2218907 | 83951 | 16 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | 10.1021/jm801211c | ||
| 127041558 | 136493 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 476 | 5 | 2 | 5 | 4.0 | CC1(C)CC2(CCN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)CC2)C(=O)O1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3746280 | 136493 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 476 | 5 | 2 | 5 | 4.0 | CC1(C)CC2(CCN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)CC2)C(=O)O1 | 10.1016/j.bmcl.2015.11.030 | ||
| 122238756 | 146495 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 734 | 14 | 5 | 10 | 6.2 | CN(CCCn1c(=O)oc2cc(CNC[C@H](O)c3ccc(O)c(NC=O)c3)ccc21)[C@H]1CC[C@H](c2cccc3c2C(C)(C(=O)O)c2ccccc2O3)CC1 | nan | ||
| CHEMBL3926721 | 146495 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 734 | 14 | 5 | 10 | 6.2 | CN(CCCn1c(=O)oc2cc(CNC[C@H](O)c3ccc(O)c(NC=O)c3)ccc21)[C@H]1CC[C@H](c2cccc3c2C(C)(C(=O)O)c2ccccc2O3)CC1 | nan | ||
| 118710941 | 113252 | 0 | None | - | 3 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 370 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323659 | 113252 | 0 | None | - | 3 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 370 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 68807656 | 113259 | 0 | None | - | 3 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323666 | 113259 | 0 | None | - | 3 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 24901416 | 70016 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945035 | 70016 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57398768 | 70156 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 459 | 10 | 4 | 5 | 4.3 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(CN[C@H]4C[C@@H]4c4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946765 | 70156 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 459 | 10 | 4 | 5 | 4.3 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(CN[C@H]4C[C@@H]4c4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 71558416 | 150795 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 757 | 14 | 6 | 12 | 4.9 | CN(CCCn1c(=O)[nH]c2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3961014 | 150795 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 757 | 14 | 6 | 12 | 4.9 | CN(CCCn1c(=O)[nH]c2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 16118894 | 2212 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
| 3467 | 2212 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL276257 | 2212 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
| 9912580 | 17901 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 470 | 13 | 4 | 6 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12674 | 17901 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 470 | 13 | 4 | 6 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 16118894 | 2212 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | ||
| 3467 | 2212 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL276257 | 2212 | 3 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | ||
| 44268498 | 97895 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 612 | 17 | 4 | 7 | 4.8 | CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL275114 | 97895 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 612 | 17 | 4 | 7 | 4.8 | CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44349378 | 18339 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 545 | 11 | 4 | 7 | 4.2 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(I)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL127428 | 18339 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 545 | 11 | 4 | 7 | 4.2 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(I)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44349379 | 18342 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 462 | 12 | 5 | 8 | 2.6 | NC(=O)c1cccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL127451 | 18342 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 462 | 12 | 5 | 8 | 2.6 | NC(=O)c1cccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| 10722793 | 112848 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL331744 | 112848 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| 44285226 | 99386 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 548 | 15 | 3 | 7 | 5.5 | CCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL285713 | 99386 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 548 | 15 | 3 | 7 | 5.5 | CCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| 14739892 | 206509 | 0 | None | - | 0 | Dog | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 337 | 8 | 2 | 5 | 2.7 | Cc1ccccc1OCC(O)CNCc1ccc(-n2ccnc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL98773 | 206509 | 0 | None | - | 0 | Dog | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 337 | 8 | 2 | 5 | 2.7 | Cc1ccccc1OCC(O)CNCc1ccc(-n2ccnc2)cc1 | 10.1021/jm00172a033 | ||
| 10347866 | 84583 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL22386 | 84583 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44281074 | 114631 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL33438 | 114631 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 10347866 | 84583 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL22386 | 84583 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 10103956 | 11096 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178707 | 11096 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL38114 | 11096 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| 24900811 | 70021 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945040 | 70021 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57391792 | 70155 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 10 | 3 | 6 | 5.0 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CN4CC[C@@H](Oc5ccc(Cl)cc5)C4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946764 | 70155 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 10 | 3 | 6 | 5.0 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CN4CC[C@@H](Oc5ccc(Cl)cc5)C4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57395240 | 70153 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 465 | 11 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946762 | 70153 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 465 | 11 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 11819522 | 11911 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1183318 | 11911 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL290153 | 11911 | 0 | None | - | 2 | Guinea pig | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| 121347950 | 150700 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 728 | 14 | 5 | 12 | 5.1 | CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)[C@](O)(c2cccs2)C2CCCC2)CC1 | nan | ||
| CHEMBL3960091 | 150700 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 728 | 14 | 5 | 12 | 5.1 | CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)[C@](O)(c2cccs2)C2CCCC2)CC1 | nan | ||
| 54673020 | 151054 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 766 | 14 | 6 | 11 | 5.5 | CN(CCC(=O)Nc1cc(F)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1F)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3963417 | 151054 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 766 | 14 | 6 | 11 | 5.5 | CN(CCC(=O)Nc1cc(F)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1F)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 44268275 | 19413 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 484 | 14 | 4 | 6 | 3.3 | O=S(=O)(CCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13003 | 19413 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 484 | 14 | 4 | 6 | 3.3 | O=S(=O)(CCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44268520 | 21039 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 591 | 14 | 5 | 8 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)OCc1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13132 | 21039 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 591 | 14 | 5 | 8 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)OCc1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| 12049916 | 201305 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 576 | 11 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63138 | 201305 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 576 | 11 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 10258518 | 101481 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 633 | 17 | 3 | 8 | 6.8 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL301231 | 101481 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 633 | 17 | 3 | 8 | 6.8 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| 567 | 716 | 10 | None | - | 5 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 9841972 | 716 | 10 | None | - | 5 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| CHEMBL284782 | 716 | 10 | None | - | 5 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 12582 | 937 | 40 | None | -11 | 5 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| 2783 | 937 | 40 | None | -11 | 5 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| CHEMBL49080 | 937 | 40 | None | -11 | 5 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| DB01407 | 937 | 40 | None | -11 | 5 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| 44306991 | 201987 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 493 | 11 | 4 | 8 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67461 | 201987 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 493 | 11 | 4 | 8 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298533 | 193334 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 469 | 11 | 1 | 5 | 6.5 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL54821 | 193334 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 469 | 11 | 1 | 5 | 6.5 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44377753 | 119425 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 4.0 | O=c1n(Cc2ccc(F)c(F)c2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL349505 | 119425 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 4.0 | O=c1n(Cc2ccc(F)c(F)c2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 46881575 | 7702 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 416 | 9 | 3 | 7 | 2.3 | O=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089387 | 7702 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 416 | 9 | 3 | 7 | 2.3 | O=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 127041869 | 136582 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 448 | 7 | 2 | 5 | 3.0 | CCOC(=O)[C@@H]1[C@H]2CN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)C[C@H]21 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3747546 | 136582 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 448 | 7 | 2 | 5 | 3.0 | CCOC(=O)[C@@H]1[C@H]2CN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)C[C@H]21 | 10.1016/j.bmcl.2015.11.030 | ||
| 10406968 | 113258 | 0 | None | - | 3 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323665 | 113258 | 0 | None | - | 3 | Guinea pig | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| 9956563 | 197182 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 474 | 12 | 2 | 6 | 4.6 | CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1 | 10.1021/jm900563e | ||
| CHEMBL1204009 | 197182 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 474 | 12 | 2 | 6 | 4.6 | CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1 | 10.1021/jm900563e | ||
| CHEMBL583889 | 197182 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 474 | 12 | 2 | 6 | 4.6 | CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1 | 10.1021/jm900563e | ||
| 16736096 | 141564 | 0 | None | 19 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL388177 | 141564 | 0 | None | 19 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 71558563 | 143248 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 758 | 14 | 5 | 13 | 5.2 | CN(CCCn1c(=O)oc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3900995 | 143248 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 758 | 14 | 5 | 13 | 5.2 | CN(CCCn1c(=O)oc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 10205362 | 116454 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 468 | 8 | 4 | 5 | 4.4 | N#CN/C(=N\c1cc(Cl)cc(Cl)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL338618 | 116454 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 468 | 8 | 4 | 5 | 4.4 | N#CN/C(=N\c1cc(Cl)cc(Cl)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44298852 | 101273 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL299719 | 101273 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 25070577 | 111175 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.3 | CNc1nc(C(F)(F)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
| CHEMBL3286557 | 111175 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.3 | CNc1nc(C(F)(F)c2ccccc2)nc2c1CCNCC2 | 10.1021/jm5003292 | ||
| 12017006 | 99931 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 608 | 11 | 3 | 7 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL290053 | 99931 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 608 | 11 | 3 | 7 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44281277 | 99715 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 563 | 16 | 3 | 8 | 5.3 | CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL288083 | 99715 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 563 | 16 | 3 | 8 | 5.3 | CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44281400 | 109870 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL32411 | 109870 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 2249 | 509 | 106 | None | -33 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| 255 | 509 | 106 | None | -33 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| 548 | 509 | 106 | None | -33 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| CHEMBL24 | 509 | 106 | None | -33 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| DB00335 | 509 | 106 | None | -33 | 11 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| 24900812 | 70024 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945043 | 70024 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57402061 | 70188 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 521 | 9 | 3 | 5 | 5.9 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(-c4cccc(CN5Cc6ccccc6C5)c4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947150 | 70188 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 521 | 9 | 3 | 5 | 5.9 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(-c4cccc(CN5Cc6ccccc6C5)c4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 44268322 | 18783 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 8 | 4 | 5 | 1.7 | Oc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12876 | 18783 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 303 | 8 | 4 | 5 | 1.7 | Oc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44307396 | 202055 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 582 | 12 | 3 | 6 | 3.7 | COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67886 | 202055 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 582 | 12 | 3 | 6 | 3.7 | COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44280903 | 99498 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286437 | 99498 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 605 | 12 | 3 | 8 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281218 | 155170 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 13 | 5 | 9 | 4.0 | CNC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL405245 | 155170 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 13 | 5 | 9 | 4.0 | CNC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44298823 | 100809 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 462 | 11 | 1 | 3 | 7.1 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL296380 | 100809 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 462 | 11 | 1 | 3 | 7.1 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| 10673684 | 161658 | 0 | None | - | 0 | Dog | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 526 | 18 | 4 | 8 | 4.1 | CC(C)(Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
| CHEMBL41628 | 161658 | 0 | None | - | 0 | Dog | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 526 | 18 | 4 | 8 | 4.1 | CC(C)(Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
| 24882564 | 154815 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 409 | 10 | 3 | 4 | 4.2 | Cc1cc2c(CO)c(CCCCC(=O)O)n(CCc3ccccc3)c2cc1C(=O)O | 10.1016/j.bmcl.2007.12.038 | ||
| CHEMBL403297 | 154815 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 409 | 10 | 3 | 4 | 4.2 | Cc1cc2c(CO)c(CCCCC(=O)O)n(CCc3ccccc3)c2cc1C(=O)O | 10.1016/j.bmcl.2007.12.038 | ||
| 44281424 | 99842 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 587 | 12 | 3 | 9 | 4.2 | O=C(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL289249 | 99842 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 587 | 12 | 3 | 9 | 4.2 | O=C(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 46845698 | 5705 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078696 | 5705 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881573 | 8189 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1092502 | 8189 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 36811 | 1426 | 34 | None | -51 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 535 | 1426 | 34 | None | -51 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 937 | 1426 | 34 | None | -51 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| CHEMBL926 | 1426 | 34 | None | -51 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| DB00841 | 1426 | 34 | None | -51 | 7 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 10081581 | 11095 | 0 | None | - | 2 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178704 | 11095 | 0 | None | - | 2 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL38033 | 11095 | 0 | None | - | 2 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| 9984028 | 119221 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL347582 | 119221 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0101500 | ||
| 1531 | 2235 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 3869 | 2235 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 7207 | 2235 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| CHEMBL429 | 2235 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| DB00598 | 2235 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 12049918 | 101740 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 624 | 12 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL302893 | 101740 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 624 | 12 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 183520 | 166023 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@H](O)[C@H]3NCC2 | 10.1039/C7MD00656J | ||
| CHEMBL4279962 | 166023 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@H](O)[C@H]3NCC2 | 10.1039/C7MD00656J | ||
| 9873257 | 84521 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22375 | 84521 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| 44301886 | 100610 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 607 | 16 | 4 | 8 | 4.7 | CC(=O)NCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL294849 | 100610 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 607 | 16 | 4 | 8 | 4.7 | CC(=O)NCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| 415628 | 206451 | 89 | None | - | 5 | Dog | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | ||
| CHEMBL9841 | 206451 | 89 | None | - | 5 | Dog | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | ||
| 46845699 | 5727 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(N2CCCC2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078876 | 5727 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(N2CCCC2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881872 | 7665 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 411 | 10 | 4 | 7 | 2.6 | CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089052 | 7665 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 411 | 10 | 4 | 7 | 2.6 | CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| 9938030 | 99563 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286859 | 99563 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 165193 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| 2303 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| 4946 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| 564 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| 62882 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| 63 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| 66366 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| 91536 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| CHEMBL27 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| CHEMBL452861 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| DB00571 | 3138 | 60 | None | -1 | 42 | Dog | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00172a033 | ||
| 44276727 | 96865 | 0 | None | - | 3 | Bovine | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | ||
| CHEMBL26917 | 96865 | 0 | None | - | 3 | Bovine | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 263 | 6 | 2 | 3 | 2.2 | Cc1ccc(OCC(O)CNC(C)C)c2c1CCC2 | 10.1021/jm00350a009 | ||
| 56663519 | 63314 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL1800960 | 63314 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 44268320 | 18242 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 456 | 11 | 4 | 6 | 3.1 | Cc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12718 | 18242 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 456 | 11 | 4 | 6 | 3.1 | Cc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 10119061 | 17774 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1ccc(I)cc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL126055 | 17774 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1ccc(I)cc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44268495 | 24826 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 612 | 19 | 6 | 7 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13467 | 24826 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 612 | 19 | 6 | 7 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 11758172 | 100467 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL293994 | 100467 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 11758172 | 100467 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL293994 | 100467 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| 46881982 | 5675 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078465 | 5675 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881651 | 6783 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1084137 | 6783 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881618 | 7932 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1090746 | 7932 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46917559 | 1529 | 8 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 513 | 11 | 3 | 4 | 6.2 | O[C@H](CNC(Cc1ccc(c(c1)F)Cl)(C)C)CO[C@@H](c1ccccc1c1ccc(c(c1)C)C(=O)O)C | 10.1021/ml100268k | ||
| 9474 | 1529 | 8 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 513 | 11 | 3 | 4 | 6.2 | O[C@H](CNC(Cc1ccc(c(c1)F)Cl)(C)C)CO[C@@H](c1ccccc1c1ccc(c(c1)C)C(=O)O)C | 10.1021/ml100268k | ||
| CHEMBL1672973 | 1529 | 8 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 513 | 11 | 3 | 4 | 6.2 | O[C@H](CNC(Cc1ccc(c(c1)F)Cl)(C)C)CO[C@@H](c1ccccc1c1ccc(c(c1)C)C(=O)O)C | 10.1021/ml100268k | ||
| 71559319 | 151970 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 760 | 16 | 6 | 12 | 4.4 | CN(CCNC(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3971284 | 151970 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 760 | 16 | 6 | 12 | 4.4 | CN(CCNC(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 10075383 | 96658 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL267545 | 96658 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 9917962 | 167393 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL431678 | 167393 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44298821 | 193325 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 453 | 11 | 1 | 5 | 6.1 | CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL54749 | 193325 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 453 | 11 | 1 | 5 | 6.1 | CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 | 10.1016/s0960-894x(99)00277-2 | ||
| 10746499 | 113960 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL333417 | 113960 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 | 10.1021/jm000286i | ||
| 10099346 | 140542 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL38254 | 140542 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 1355 | 1980 | 82 | None | - | 15 | Dog | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | ||
| 142 | 1980 | 82 | None | - | 15 | Dog | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | ||
| CHEMBL478 | 1980 | 82 | None | - | 15 | Dog | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | ||
| DB12110 | 1980 | 82 | None | - | 15 | Dog | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1cccc(c1)N1CCNCC1 | 10.1021/jm00082a016 | ||
| 53246941 | 69079 | 36 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 3.9 | C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 | nan | ||
| CHEMBL1933288 | 69079 | 36 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 6 | 2 | 6 | 3.9 | C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 | nan | ||
| 688469 | 142395 | 2 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL389390 | 142395 | 2 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 155526570 | 170596 | 0 | None | 999 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 471 | 20 | 4 | 8 | 1.2 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCN | 10.1039/C8MD00412A | ||
| CHEMBL4458797 | 170596 | 0 | None | 999 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 471 | 20 | 4 | 8 | 1.2 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCN | 10.1039/C8MD00412A | ||
| 44268308 | 17925 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 472 | 12 | 4 | 7 | 2.8 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12686 | 17925 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 472 | 12 | 4 | 7 | 2.8 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 9933039 | 162495 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL417613 | 162495 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 3931 | 2217 | 42 | None | 3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | ||
| 9829836 | 2217 | 42 | None | 3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL12998 | 2217 | 42 | None | 3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | ||
| 44301618 | 197403 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 574 | 11 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL58798 | 197403 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 574 | 11 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 57398769 | 70158 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 12 | 4 | 6 | 4.0 | COc1ccccc1CCNCc1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946767 | 70158 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 12 | 4 | 6 | 4.0 | COc1ccccc1CCNCc1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 2810 | 67260 | 50 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | ||
| CHEMBL1902627 | 67260 | 50 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2011.11.072 | ||
| 9846763 | 69871 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 11 | 8 | 8 | 2.1 | OCc1cc(C(O)CNCc2ccc(NCC(O)c3ccc(O)c(CO)c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940813 | 69871 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 11 | 8 | 8 | 2.1 | OCc1cc(C(O)CNCc2ccc(NCC(O)c3ccc(O)c(CO)c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 12972976 | 69860 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 542 | 12 | 8 | 8 | 3.5 | OCc1cc(C(O)CNC2CCC(CC3CCC(NCC(O)c4ccc(O)c(CO)c4)CC3)CC2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940685 | 69860 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 542 | 12 | 8 | 8 | 3.5 | OCc1cc(C(O)CNC2CCC(CC3CCC(NCC(O)c4ccc(O)c(CO)c4)CC3)CC2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 21093243 | 69868 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 468 | 12 | 8 | 8 | 1.7 | OCc1cc(C(O)CNCc2cccc(CNCC(O)c3ccc(O)c(CO)c3)c2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940810 | 69868 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 468 | 12 | 8 | 8 | 1.7 | OCc1cc(C(O)CNCc2cccc(CNCC(O)c3ccc(O)c(CO)c3)c2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 16736091 | 85305 | 0 | None | 66 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| CHEMBL228996 | 85305 | 0 | None | 66 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| 54672858 | 150941 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 794 | 16 | 7 | 12 | 5.9 | COc1cc(NC(=O)CCCN[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3962171 | 150941 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 794 | 16 | 7 | 12 | 5.9 | COc1cc(NC(=O)CCCN[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 71524764 | 143907 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 833 | 16 | 5 | 14 | 6.5 | COc1cc(-c2noc(CCCN(C)[C@H]3CC[C@H](OC(=O)C(O)(c4cccs4)c4cccs4)CC3)n2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3906438 | 143907 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 833 | 16 | 5 | 14 | 6.5 | COc1cc(-c2noc(CCCN(C)[C@H]3CC[C@H](OC(=O)C(O)(c4cccs4)c4cccs4)CC3)n2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 54675236 | 142177 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 808 | 15 | 6 | 12 | 6.3 | COc1cc(NC(=O)CCN(C)[C@H]2CC[C@](C)(OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3892218 | 142177 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 808 | 15 | 6 | 12 | 6.3 | COc1cc(NC(=O)CCN(C)[C@H]2CC[C@](C)(OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 11647002 | 15462 | 0 | None | - | 3 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1221681 | 15462 | 0 | None | - | 3 | Guinea pig | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm058018d | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm058018d | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm058018d | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmc.2010.07.034 | ||
| 24900685 | 70014 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945033 | 70014 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 71556977 | 142012 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 769 | 15 | 5 | 13 | 5.9 | CN(CCCc1nc(-c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)no1)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3890898 | 142012 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 769 | 15 | 5 | 13 | 5.9 | CN(CCCc1nc(-c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)no1)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 137 | 367 | 47 | None | - | 11 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 2119 | 367 | 47 | None | - | 11 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 563 | 367 | 47 | None | - | 11 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 66368 | 367 | 47 | None | - | 11 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| CHEMBL266195 | 367 | 47 | None | - | 11 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| DB00866 | 367 | 47 | None | - | 11 | Bovine | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm00350a009 | ||
| 118710945 | 113256 | 0 | None | - | 3 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 398 | 6 | 4 | 5 | 3.8 | CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323663 | 113256 | 0 | None | - | 3 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 398 | 6 | 4 | 5 | 3.8 | CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 44268305 | 97845 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL274782 | 97845 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44112 | 120777 | 41 | None | -1 | 7 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
| CHEMBL357995 | 120777 | 41 | None | -1 | 7 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
| 145986860 | 166562 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 311 | 2 | 2 | 4 | 2.8 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@]3(C)NCC2 | 10.1039/C7MD00656J | ||
| CHEMBL4290197 | 166562 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 311 | 2 | 2 | 4 | 2.8 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@]3(C)NCC2 | 10.1039/C7MD00656J | ||
| 2447486 | 62731 | 1 | None | - | 2 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL1788270 | 62731 | 1 | None | - | 2 | Bovine | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 44335534 | 4758 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 559 | 13 | 5 | 6 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104193 | 4758 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 559 | 13 | 5 | 6 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 10112732 | 16633 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 418 | 8 | 4 | 5 | 3.3 | N#CN/C(=N\c1cccc(F)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL124668 | 16633 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 418 | 8 | 4 | 5 | 3.3 | N#CN/C(=N\c1cccc(F)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44268604 | 36394 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 598 | 18 | 6 | 7 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL144870 | 36394 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 598 | 18 | 6 | 7 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 9831168 | 202996 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL74085 | 202996 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 44335562 | 108054 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 558 | 14 | 4 | 6 | 4.7 | O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL320138 | 108054 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 558 | 14 | 4 | 6 | 4.7 | O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44301819 | 100593 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 612 | 11 | 3 | 7 | 6.8 | CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL294753 | 100593 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 612 | 11 | 3 | 7 | 6.8 | CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 11342656 | 200972 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 634 | 13 | 3 | 7 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL61429 | 200972 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 634 | 13 | 3 | 7 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44281219 | 111522 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 588 | 12 | 4 | 9 | 4.0 | NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL32891 | 111522 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 588 | 12 | 4 | 9 | 4.0 | NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281468 | 161334 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 623 | 12 | 3 | 8 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL415039 | 161334 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 623 | 12 | 3 | 8 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44377513 | 56216 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL163531 | 56216 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44461706 | 204207 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL84117 | 204207 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44377637 | 55243 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 633 | 14 | 3 | 6 | 5.3 | O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL162043 | 55243 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 633 | 14 | 3 | 6 | 5.3 | O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44377677 | 56585 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 495 | 10 | 3 | 6 | 2.6 | CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL164401 | 56585 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 495 | 10 | 3 | 6 | 2.6 | CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 15523861 | 57221 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 599 | 14 | 3 | 6 | 4.6 | O=C1N(CCCc2ccccc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL166188 | 57221 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 599 | 14 | 3 | 6 | 4.6 | O=C1N(CCCc2ccccc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44268482 | 97648 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 499 | 12 | 5 | 7 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL273428 | 97648 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 499 | 12 | 5 | 7 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44298718 | 195411 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 386 | 8 | 1 | 3 | 4.3 | CCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56752 | 195411 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 386 | 8 | 1 | 3 | 4.3 | CCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 10545491 | 160305 | 0 | None | - | 0 | Dog | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 345 | 10 | 3 | 5 | 2.7 | CC(C)(Cc1ccc(N)cc1)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
| CHEMBL41149 | 160305 | 0 | None | - | 0 | Dog | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 345 | 10 | 3 | 5 | 2.7 | CC(C)(Cc1ccc(N)cc1)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm970338c | ||
| 12017018 | 141806 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 638 | 13 | 3 | 8 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL38861 | 141806 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 638 | 13 | 3 | 8 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44268349 | 20376 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 456 | 12 | 4 | 6 | 2.9 | O=S(=O)(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13079 | 20376 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 456 | 12 | 4 | 6 | 2.9 | O=S(=O)(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 19360455 | 186492 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | ||
| CHEMBL491251 | 186492 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | ||
| 19360456 | 188120 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 354 | 9 | 2 | 5 | 2.9 | COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1 | 10.1021/jm900364m | ||
| CHEMBL504479 | 188120 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 354 | 9 | 2 | 5 | 2.9 | COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1 | 10.1021/jm900364m | ||
| 145981443 | 165998 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@H]3NCC2 | 10.1039/C7MD00656J | ||
| CHEMBL4279531 | 165998 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@H]3NCC2 | 10.1039/C7MD00656J | ||
| 44268479 | 20689 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 543 | 13 | 5 | 8 | 3.7 | CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13106 | 20689 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 543 | 13 | 5 | 8 | 3.7 | CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44301867 | 100110 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 613 | 12 | 4 | 8 | 5.5 | CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291594 | 100110 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 613 | 12 | 4 | 8 | 5.5 | CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 10483845 | 201383 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 608 | 11 | 3 | 8 | 5.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63760 | 201383 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 608 | 11 | 3 | 8 | 5.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 12017002 | 141167 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 558 | 11 | 3 | 7 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL38562 | 141167 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 558 | 11 | 3 | 7 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 118710943 | 113254 | 0 | None | - | 3 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323661 | 113254 | 0 | None | - | 3 | Guinea pig | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 155552089 | 173447 | 0 | None | 10 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 571 | 21 | 4 | 9 | 2.8 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C | 10.1039/C8MD00412A | ||
| CHEMBL4542960 | 173447 | 0 | None | 10 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 571 | 21 | 4 | 9 | 2.8 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C | 10.1039/C8MD00412A | ||
| 71558567 | 142149 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 740 | 14 | 5 | 11 | 6.2 | CN(CCCn1ccc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3892021 | 142149 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 740 | 14 | 5 | 11 | 6.2 | CN(CCCn1ccc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 44268352 | 15364 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 380 | 10 | 4 | 6 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12188 | 15364 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 380 | 10 | 4 | 6 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44349237 | 162887 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 511 | 13 | 4 | 8 | 5.3 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL419787 | 162887 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 511 | 13 | 4 | 8 | 5.3 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44268509 | 19223 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 513 | 13 | 5 | 7 | 3.1 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL12943 | 19223 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 513 | 13 | 5 | 7 | 3.1 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44472591 | 137494 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 7 | 3 | 6 | 3.4 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764774 | 137494 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 7 | 3 | 6 | 3.4 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 12017007 | 157833 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL40898 | 157833 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 104903 | 56050 | 14 | None | -5 | 6 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| CHEMBL1630578 | 56050 | 14 | None | -5 | 6 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| 16735495 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229401 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 118710935 | 113246 | 0 | None | - | 3 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323653 | 113246 | 0 | None | - | 3 | Guinea pig | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 9930235 | 192606 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 388 | 9 | 2 | 5 | 3.6 | COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1 | 10.1021/jm900364m | ||
| CHEMBL523475 | 192606 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 388 | 9 | 2 | 5 | 3.6 | COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1 | 10.1021/jm900364m | ||
| 44268365 | 98117 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 406 | 10 | 4 | 5 | 3.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL276659 | 98117 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 406 | 10 | 4 | 5 | 3.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44307063 | 201643 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 11 | 3 | 6 | 3.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64935 | 201643 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 11 | 3 | 6 | 3.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44268470 | 24666 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 527 | 14 | 5 | 7 | 3.5 | CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13453 | 24666 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 527 | 14 | 5 | 7 | 3.5 | CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44268563 | 96737 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.7 | CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL268289 | 96737 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.7 | CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 11556330 | 162660 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL418308 | 162660 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 10099459 | 203983 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL82296 | 203983 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 10099459 | 203983 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL82296 | 203983 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 3038500 | 9250 | 8 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL111201 | 9250 | 8 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| 3038500 | 9250 | 8 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL111201 | 9250 | 8 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 14664348 | 12741 | 0 | None | - | 0 | Dog | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 474 | 12 | 3 | 8 | 2.4 | CC(C)(COc1ccc(-n2ccnc2)cc1)NCC(O)COc1ccc(NS(C)(=O)=O)cc1 | 10.1021/jm00166a002 | ||
| CHEMBL1188606 | 12741 | 0 | None | - | 0 | Dog | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 474 | 12 | 3 | 8 | 2.4 | CC(C)(COc1ccc(-n2ccnc2)cc1)NCC(O)COc1ccc(NS(C)(=O)=O)cc1 | 10.1021/jm00166a002 | ||
| CHEMBL536800 | 12741 | 0 | None | - | 0 | Dog | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 474 | 12 | 3 | 8 | 2.4 | CC(C)(COc1ccc(-n2ccnc2)cc1)NCC(O)COc1ccc(NS(C)(=O)=O)cc1 | 10.1021/jm00166a002 | ||
| 121848 | 130188 | 4 | None | - | 2 | Bovine | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL368457 | 130188 | 4 | None | - | 2 | Bovine | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 44268268 | 18464 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12769 | 18464 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44298843 | 194988 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)nc1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56449 | 194988 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)nc1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44349323 | 16617 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 11 | 4 | 7 | 3.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(F)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL124584 | 16617 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 437 | 11 | 4 | 7 | 3.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(F)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44281073 | 118701 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CCC(O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL34328 | 118701 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CCC(O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 76332892 | 105434 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 528 | 7 | 3 | 6 | 5.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | ||
| CHEMBL3128185 | 105434 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 528 | 7 | 3 | 6 | 5.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | ||
| 24900751 | 70037 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945290 | 70037 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900749 | 70038 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945291 | 70038 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901283 | 70039 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945292 | 70039 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 44268281 | 16699 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 436 | 14 | 4 | 6 | 2.9 | CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12498 | 16699 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 436 | 14 | 4 | 6 | 2.9 | CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44301803 | 167243 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 588 | 12 | 3 | 7 | 5.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL430594 | 167243 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 588 | 12 | 3 | 7 | 5.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 12049917 | 201337 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 588 | 12 | 3 | 9 | 4.1 | COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63357 | 201337 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 588 | 12 | 3 | 9 | 4.1 | COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F | 10.1016/s0960-894x(00)00422-4 | ||
| 15483880 | 99151 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL28405 | 99151 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281395 | 99468 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 587 | 13 | 4 | 10 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccccc3O)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286231 | 99468 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 587 | 13 | 4 | 10 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccccc3O)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281407 | 99841 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 666 | 14 | 4 | 10 | 3.6 | CS(=O)(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL289248 | 99841 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 666 | 14 | 4 | 10 | 3.6 | CS(=O)(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281470 | 113075 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 589 | 12 | 4 | 9 | 4.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33224 | 113075 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 589 | 12 | 4 | 9 | 4.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44280858 | 99352 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 577 | 17 | 3 | 8 | 5.7 | CCCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL285458 | 99352 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 577 | 17 | 3 | 8 | 5.7 | CCCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 12017015 | 122578 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 546 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL36101 | 122578 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 546 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44298306 | 101529 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 4.1 | CN(CCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL301594 | 101529 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 4.1 | CN(CCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 9804668 | 69870 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 468 | 12 | 8 | 8 | 2.1 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(O)c(CO)c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940812 | 69870 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 468 | 12 | 8 | 8 | 2.1 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccc(O)c(CO)c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 22986860 | 69872 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 376 | 10 | 4 | 4 | 3.7 | OC(CNCCc1ccc(NCC(O)c2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940814 | 69872 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 376 | 10 | 4 | 4 | 3.7 | OC(CNCCc1ccc(NCC(O)c2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.11.072 | ||
| 57401436 | 70058 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945504 | 70058 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 76322045 | 105433 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 7 | 3 | 5 | 6.0 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | ||
| CHEMBL3128184 | 105433 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 7 | 3 | 5 | 6.0 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | ||
| 1786 | 2484 | 79 | None | -25 | 11 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 4171 | 2484 | 79 | None | -25 | 11 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 553 | 2484 | 79 | None | -25 | 11 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| CHEMBL13 | 2484 | 79 | None | -25 | 11 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| DB00264 | 2484 | 79 | None | -25 | 11 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 44349588 | 116462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 628 | 16 | 4 | 7 | 8.0 | CCCCCCCCc1csc(N2CCc3cc(N/C(S)=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL338664 | 116462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 628 | 16 | 4 | 7 | 8.0 | CCCCCCCCc1csc(N2CCc3cc(N/C(S)=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| 10841171 | 116523 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL338976 | 116523 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 | 10.1021/jm000286i | ||
| 14739893 | 4213 | 0 | None | - | 0 | Dog | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 416 | 10 | 3 | 7 | 1.8 | CS(=O)(=O)Nc1ccc(OCC(O)CNCc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL100624 | 4213 | 0 | None | - | 0 | Dog | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 416 | 10 | 3 | 7 | 1.8 | CS(=O)(=O)Nc1ccc(OCC(O)CNCc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00172a033 | ||
| 10076885 | 99323 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 577 | 14 | 3 | 9 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCOC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL285242 | 99323 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 577 | 14 | 3 | 9 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCOC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| 10442852 | 11110 | 0 | None | - | 2 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178755 | 11110 | 0 | None | - | 2 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL39706 | 11110 | 0 | None | - | 2 | Guinea pig | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| 44285634 | 99942 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 576 | 17 | 3 | 7 | 6.3 | CCCCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL290131 | 99942 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 576 | 17 | 3 | 7 | 6.3 | CCCCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| 3157 | 1442 | 69 | None | -97 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 7170 | 1442 | 69 | None | -97 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 954 | 1442 | 69 | None | -97 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| CHEMBL707 | 1442 | 69 | None | -97 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| DB00590 | 1442 | 69 | None | -97 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 1043 | 1552 | 13 | None | -20892 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 149 | 1552 | 13 | None | -20892 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 8223 | 1552 | 13 | None | -20892 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL442 | 1552 | 13 | None | -20892 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00696 | 1552 | 13 | None | -20892 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 44303198 | 201468 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 568 | 11 | 4 | 7 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64201 | 201468 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 568 | 11 | 4 | 7 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00073a006 | ||
| 44268324 | 16605 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12450 | 16605 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 1028 | 287 | 69 | None | -89 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 139148732 | 287 | 69 | None | -89 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 479 | 287 | 69 | None | -89 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 5816 | 287 | 69 | None | -89 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL679 | 287 | 69 | None | -89 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00668 | 287 | 69 | None | -89 | 29 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 44268569 | 97742 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL274143 | 97742 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 81430 | 198410 | 100 | None | - | 1 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | ||
| CHEMBL59597 | 198410 | 100 | None | - | 1 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | ||
| 91965 | 206290 | 88 | None | - | 2 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | ||
| CHEMBL9746 | 206290 | 88 | None | - | 2 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm801211c | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm801211c | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm801211c | ||
| 71566170 | 144381 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 774 | 17 | 7 | 12 | 4.5 | CC(Cc1ccc(OCC(=O)NCCN[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3910208 | 144381 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 774 | 17 | 7 | 12 | 4.5 | CC(Cc1ccc(OCC(=O)NCCN[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 16735261 | 85306 | 0 | None | 47 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| CHEMBL228998 | 85306 | 0 | None | 47 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| 16738927 | 70015 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945034 | 70015 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| 2419 | 3407 | 80 | None | - | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| 5152 | 3407 | 80 | None | - | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| 559 | 3407 | 80 | None | - | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1263 | 3407 | 80 | None | - | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| DB00938 | 3407 | 80 | None | - | 6 | Guinea pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| 53380558 | 63317 | 2 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | nan | ||
| CHEMBL1800963 | 63317 | 2 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | nan | ||
| 24901348 | 69984 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1944689 | 69984 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900937 | 70041 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945294 | 70041 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901140 | 70191 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 503 | 9 | 4 | 6 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCC(c5ccccc5)CC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947153 | 70191 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 503 | 9 | 4 | 6 | 4.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCC(c5ccccc5)CC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 14823035 | 141031 | 2 | None | - | 3 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | ||
| CHEMBL38486 | 141031 | 2 | None | - | 3 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | ||
| 2447484 | 102295 | 2 | None | - | 2 | Bovine | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| CHEMBL305153 | 102295 | 2 | None | - | 2 | Bovine | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 3.2 | CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 | 10.1021/jm00350a009 | ||
| 44338637 | 109037 | 0 | None | - | 0 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 7 | 2 | 5 | 2.8 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | ||
| CHEMBL322130 | 109037 | 0 | None | - | 0 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 7 | 2 | 5 | 2.8 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | ||
| 9802994 | 185763 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | ||
| CHEMBL487507 | 185763 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | ||
| 44313090 | 102695 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 12 | 6 | 7 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL308126 | 102695 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 12 | 6 | 7 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 44312949 | 202069 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 602 | 11 | 6 | 6 | 6.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(CC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL67998 | 202069 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 602 | 11 | 6 | 6 | 6.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(CC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 567 | 716 | 10 | None | -4 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | ||
| 9841972 | 716 | 10 | None | -4 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL284782 | 716 | 10 | None | -4 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | ||
| 3931 | 2217 | 42 | None | 3 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00571-x | ||
| 9829836 | 2217 | 42 | None | 3 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL12998 | 2217 | 42 | None | 3 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00571-x | ||
| 9915238 | 196489 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL57486 | 196489 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44268358 | 19228 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 510 | 11 | 4 | 6 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12945 | 19228 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 510 | 11 | 4 | 6 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44268327 | 97847 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL274807 | 97847 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44301831 | 100495 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 590 | 14 | 3 | 7 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL294172 | 100495 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 590 | 14 | 3 | 7 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44301805 | 100547 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL294492 | 100547 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44301832 | 199390 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.8 | CCCCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL60281 | 199390 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.8 | CCCCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44281467 | 118861 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 648 | 14 | 4 | 10 | 3.8 | CS(=O)(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL34441 | 118861 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 648 | 14 | 4 | 10 | 3.8 | CS(=O)(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44461468 | 105149 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL312364 | 105149 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 10007337 | 116200 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 535 | 14 | 3 | 8 | 4.5 | CCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL33725 | 116200 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 535 | 14 | 3 | 8 | 4.5 | CCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 9985523 | 98704 | 0 | None | - | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 572 | 17 | 2 | 6 | 6.2 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 | 10.1021/jm960281e | ||
| CHEMBL281200 | 98704 | 0 | None | - | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 572 | 17 | 2 | 6 | 6.2 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 | 10.1021/jm960281e | ||
| 9852911 | 98924 | 0 | None | - | 6 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm960281e | ||
| CHEMBL282618 | 98924 | 0 | None | - | 6 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm960281e | ||
| 46881938 | 6687 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 4 | 5.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1083832 | 6687 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 443 | 9 | 3 | 4 | 5.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44285685 | 99752 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL288418 | 99752 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| 12017003 | 141398 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL38704 | 141398 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 9915238 | 196489 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL57486 | 196489 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44285692 | 136703 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)co1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL37512 | 136703 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)co1 | 10.1016/s0960-894x(00)00277-8 | ||
| 1599 | 2309 | 47 | None | -131 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | 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 | -131 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | 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 | -131 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | 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 | -131 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | 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 | -131 | 15 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 13864389 | 4997 | 2 | None | - | 2 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | ||
| CHEMBL105383 | 4997 | 2 | None | - | 2 | Guinea pig | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | ||
| 57402248 | 70160 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 487 | 9 | 3 | 5 | 5.1 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(CN4CCC(c5ccccc5)CC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946769 | 70160 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 487 | 9 | 3 | 5 | 5.1 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(CN4CCC(c5ccccc5)CC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57393350 | 70190 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 509 | 11 | 4 | 5 | 5.6 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947152 | 70190 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 509 | 11 | 4 | 5 | 5.6 | O=c1[nH]c2c(O)ccc(CCNCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 12017012 | 99361 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 622 | 12 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL285520 | 99361 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 622 | 12 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44338127 | 7579 | 0 | None | - | 0 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 390 | 8 | 3 | 6 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12OCCO | 10.1021/jm00122a008 | ||
| CHEMBL108843 | 7579 | 0 | None | - | 0 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 390 | 8 | 3 | 6 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12OCCO | 10.1021/jm00122a008 | ||
| 44338499 | 108149 | 0 | None | - | 0 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 346 | 5 | 3 | 5 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12O | 10.1021/jm00122a008 | ||
| CHEMBL320704 | 108149 | 0 | None | - | 0 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 346 | 5 | 3 | 5 | 2.6 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCC12O | 10.1021/jm00122a008 | ||
| 14998847 | 55291 | 0 | None | - | 0 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL162095 | 55291 | 0 | None | - | 0 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | ||
| 24900874 | 70040 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945293 | 70040 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 12017016 | 99703 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 574 | 14 | 3 | 7 | 5.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL287947 | 99703 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 574 | 14 | 3 | 7 | 5.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 71612644 | 132842 | 0 | None | -2 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | ||
| CHEMBL3704833 | 132842 | 0 | None | -2 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | ||
| 44461718 | 204148 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL83753 | 204148 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44461718 | 204148 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL83753 | 204148 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 10455 | 3230 | 34 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| 56052 | 3230 | 34 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| CHEMBL509336 | 3230 | 34 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| DB11541 | 3230 | 34 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| 12017010 | 162650 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 572 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL418234 | 162650 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 572 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44458134 | 84409 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 565 | 15 | 3 | 10 | 3.1 | CCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22345 | 84409 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 565 | 15 | 3 | 10 | 3.1 | CCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| 10464801 | 11109 | 0 | None | - | 2 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178754 | 11109 | 0 | None | - | 2 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL39682 | 11109 | 0 | None | - | 2 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| 16735259 | 85221 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| CHEMBL228417 | 85221 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| 118638354 | 145054 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 774 | 17 | 5 | 11 | 5.3 | CN(CCN(C)[C@H]1CC[C@H](OC(C(=O)O)(c2cccs2)c2cccs2)CC1)C(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | nan | ||
| CHEMBL3915401 | 145054 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 774 | 17 | 5 | 11 | 5.3 | CN(CCN(C)[C@H]1CC[C@H](OC(C(=O)O)(c2cccs2)c2cccs2)CC1)C(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | nan | ||
| 44298787 | 193081 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 443 | 12 | 2 | 5 | 6.6 | CCCCCCCCc1csc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL53679 | 193081 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 443 | 12 | 2 | 5 | 6.6 | CCCCCCCCc1csc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44349357 | 159362 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL410702 | 159362 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00669-7 | ||
| 131847 | 55786 | 7 | None | - | 0 | Dog | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL162513 | 55786 | 7 | None | - | 0 | Dog | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 388 | 6 | 3 | 5 | 1.3 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| 1346 | 83 | 108 | None | - | 9 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | ||
| 280 | 83 | 108 | None | - | 9 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | ||
| 9899402 | 83 | 108 | None | - | 9 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | ||
| CHEMBL9666 | 83 | 108 | None | - | 9 | Dog | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 192 | 2 | 1 | 3 | 1.1 | COc1ccccc1N1CCNCC1 | 10.1021/jm00082a016 | ||
| 1836 | 2554 | 56 | None | -53 | 15 | Human | 5.5 | pIC50 | = | 5.5 | 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 | -53 | 15 | Human | 5.5 | pIC50 | = | 5.5 | 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 | -53 | 15 | Human | 5.5 | pIC50 | = | 5.5 | 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 | -53 | 15 | Human | 5.5 | pIC50 | = | 5.5 | 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 | -53 | 15 | Human | 5.5 | pIC50 | = | 5.5 | 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 | ||
| 44338529 | 108148 | 0 | None | - | 0 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 360 | 7 | 2 | 5 | 3.2 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | ||
| CHEMBL320696 | 108148 | 0 | None | - | 0 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 360 | 7 | 2 | 5 | 3.2 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | ||
| 44338131 | 108178 | 0 | None | - | 0 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 360 | 6 | 2 | 5 | 3.2 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | ||
| CHEMBL320761 | 108178 | 0 | None | - | 0 | Guinea pig | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 360 | 6 | 2 | 5 | 3.2 | COC12CCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | ||
| 44268568 | 24731 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 570 | 16 | 6 | 7 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13459 | 24731 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 570 | 16 | 6 | 7 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44281097 | 114235 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33384 | 114235 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 14998849 | 56221 | 0 | None | - | 0 | Dog | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1cccc(N2CCNC(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)C2)c1 | 10.1021/jm00082a016 | ||
| CHEMBL163587 | 56221 | 0 | None | - | 0 | Dog | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1cccc(N2CCNC(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)C2)c1 | 10.1021/jm00082a016 | ||
| 44377636 | 119593 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 607 | 12 | 3 | 6 | 4.5 | O=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL350931 | 119593 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 607 | 12 | 3 | 6 | 4.5 | O=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 12017017 | 126959 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 606 | 13 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL36609 | 126959 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 606 | 13 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 12017001 | 146512 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 540 | 11 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL39269 | 146512 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 540 | 11 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 54592027 | 143461 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 717 | 15 | 5 | 11 | 5.3 | CN(CCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C1CCC(OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3902803 | 143461 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 717 | 15 | 5 | 11 | 5.3 | CN(CCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C1CCC(OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 44306956 | 201656 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 495 | 11 | 3 | 6 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL65042 | 201656 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 495 | 11 | 3 | 6 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00381-3 | ||
| 46881839 | 6534 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 517 | 11 | 3 | 6 | 5.1 | O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1083216 | 6534 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 517 | 11 | 3 | 6 | 5.1 | O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44298728 | 193115 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.1 | CCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL53842 | 193115 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.1 | CCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 44268274 | 18662 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cccc(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12813 | 18662 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cccc(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44349356 | 116483 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL338748 | 116483 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(00)00669-7 | ||
| 44461705 | 204140 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL83698 | 204140 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 12017005 | 99805 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL288917 | 99805 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 155524193 | 170327 | 0 | None | 22 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 685 | 25 | 7 | 11 | 0.1 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O | 10.1039/C8MD00412A | ||
| CHEMBL4454523 | 170327 | 0 | None | 22 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 685 | 25 | 7 | 11 | 0.1 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O | 10.1039/C8MD00412A | ||
| 12049919 | 201410 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63963 | 201410 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 15523859 | 204217 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL84190 | 204217 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 15523859 | 204217 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL84190 | 204217 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 44306959 | 201394 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 520 | 11 | 4 | 7 | 2.8 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL63842 | 201394 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 520 | 11 | 4 | 7 | 2.8 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44307196 | 201893 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 11 | 4 | 7 | 3.3 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL66859 | 201893 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 11 | 4 | 7 | 3.3 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 14998858 | 119541 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 422 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL350432 | 119541 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 422 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| 9932018 | 69873 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940815 | 69873 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 422 | 11 | 6 | 6 | 2.9 | OCc1cc(C(O)CNCCc2ccc(NCC(O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 71558718 | 144189 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 774 | 14 | 5 | 13 | 5.7 | CN(CCCn1c(=O)sc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3908788 | 144189 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 774 | 14 | 5 | 13 | 5.7 | CN(CCCn1c(=O)sc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 6918446 | 2835 | 52 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 4.7 | N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O | 10.1021/jm900563e | ||
| 716 | 2835 | 52 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 4.7 | N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O | 10.1021/jm900563e | ||
| CHEMBL180672 | 2835 | 52 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 4.7 | N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O | 10.1021/jm900563e | ||
| DB05695 | 2835 | 52 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 4.7 | N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O | 10.1021/jm900563e | ||
| 56677231 | 63308 | 0 | None | 234 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | nan | ||
| CHEMBL1800934 | 63308 | 0 | None | 234 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | nan | ||
| 54673189 | 148630 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 801 | 15 | 6 | 14 | 5.3 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(C#N)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3943564 | 148630 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 801 | 15 | 6 | 14 | 5.3 | COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(C#N)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 54672859 | 147514 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 778 | 15 | 6 | 12 | 5.4 | COc1cc(NC(=O)CCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3934681 | 147514 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 778 | 15 | 6 | 12 | 5.4 | COc1cc(NC(=O)CCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 10206782 | 16676 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 492 | 10 | 4 | 6 | 4.9 | N#CN/C(=N\c1cccc(Oc2ccccc2)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL124863 | 16676 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 492 | 10 | 4 | 6 | 4.9 | N#CN/C(=N\c1cccc(Oc2ccccc2)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| 10160636 | 112999 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 443 | 9 | 5 | 6 | 2.2 | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL332010 | 112999 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 443 | 9 | 5 | 6 | 2.2 | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| 46882030 | 5691 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ncc[nH]2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078576 | 5691 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ncc[nH]2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46882031 | 5718 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078749 | 5718 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881900 | 7706 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089396 | 7706 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44268534 | 19168 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 529 | 13 | 5 | 8 | 3.3 | CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL12911 | 19168 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 529 | 13 | 5 | 8 | 3.3 | CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44268632 | 24023 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 514 | 12 | 6 | 7 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13398 | 24023 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 514 | 12 | 6 | 7 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44301804 | 167618 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccn3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL433248 | 167618 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccn3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 15483879 | 99322 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL285240 | 99322 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44285529 | 150385 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.1 | CCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL39577 | 150385 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.1 | CCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| 83111 | 57076 | 78 | None | - | 0 | Dog | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | ||
| CHEMBL165175 | 57076 | 78 | None | - | 0 | Dog | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 176 | 1 | 1 | 2 | 1.4 | Cc1cccc(N2CCNCC2)c1 | 10.1021/jm00082a016 | ||
| 10375227 | 11113 | 0 | None | - | 2 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178761 | 11113 | 0 | None | - | 2 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL39873 | 11113 | 0 | None | - | 2 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| 12582 | 937 | 40 | None | -11 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | ||
| 2783 | 937 | 40 | None | -11 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | ||
| CHEMBL49080 | 937 | 40 | None | -11 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | ||
| DB01407 | 937 | 40 | None | -11 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | ||
| 1588 | 2294 | 24 | None | -50 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 28864 | 2294 | 24 | None | -50 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 43 | 2294 | 24 | None | -50 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| CHEMBL157138 | 2294 | 24 | None | -50 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| DB00589 | 2294 | 24 | None | -50 | 43 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 44335548 | 109277 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 567 | 17 | 5 | 6 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL323113 | 109277 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 567 | 17 | 5 | 6 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44307007 | 100311 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 12 | 3 | 6 | 3.6 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL292947 | 100311 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 469 | 12 | 3 | 6 | 3.6 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298314 | 100691 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 8 | 1 | 6 | 5.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL295502 | 100691 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 8 | 1 | 6 | 5.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 14998853 | 119621 | 0 | None | - | 0 | Dog | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL351183 | 119621 | 0 | None | - | 0 | Dog | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 360 | 6 | 3 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(NCC2CNCCN2c2ccccc2)cc1 | 10.1021/jm00082a016 | ||
| 44307064 | 201644 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64936 | 201644 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44307144 | 201915 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67015 | 201915 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 569 | 17 | 5 | 7 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44268556 | 23931 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 12 | 5 | 8 | 2.9 | COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13389 | 23931 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 515 | 12 | 5 | 8 | 2.9 | COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 6918446 | 2835 | 52 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 4.7 | N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O | 10.1021/jm900364m | ||
| 716 | 2835 | 52 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 4.7 | N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O | 10.1021/jm900364m | ||
| CHEMBL180672 | 2835 | 52 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 4.7 | N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O | 10.1021/jm900364m | ||
| DB05695 | 2835 | 52 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 4.7 | N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O | 10.1021/jm900364m | ||
| 14998855 | 55412 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 402 | 6 | 2 | 5 | 1.3 | CN(c1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1)S(C)(=O)=O | 10.1021/jm00082a016 | ||
| CHEMBL162200 | 55412 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 402 | 6 | 2 | 5 | 1.3 | CN(c1ccc(C(=O)NCC2CN(c3ccccc3)CCN2)cc1)S(C)(=O)=O | 10.1021/jm00082a016 | ||
| 14998848 | 119582 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 5 | 2 | 5 | 2.1 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL350847 | 119582 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 5 | 2 | 5 | 2.1 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1 | 10.1021/jm00082a016 | ||
| 2464 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| 5253 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| 7297 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| CHEMBL471 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| DB00489 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| 9990035 | 11916 | 0 | None | - | 2 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1183337 | 11916 | 0 | None | - | 2 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL291115 | 11916 | 0 | None | - | 2 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| 44338543 | 5864 | 0 | None | - | 0 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 374 | 6 | 2 | 5 | 3.6 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | ||
| CHEMBL107981 | 5864 | 0 | None | - | 0 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 374 | 6 | 2 | 5 | 3.6 | COC12CCCCCC1c1ccccc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | ||
| 44338613 | 110889 | 0 | None | - | 0 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 5 | 3 | 5 | 2.9 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | ||
| CHEMBL327091 | 110889 | 0 | None | - | 0 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 5 | 3 | 5 | 2.9 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12O | 10.1021/jm00122a008 | ||
| 44298769 | 195431 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 457 | 12 | 1 | 5 | 6.6 | CCCCCCCCc1csc(N(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56767 | 195431 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 457 | 12 | 1 | 5 | 6.6 | CCCCCCCCc1csc(N(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 14739889 | 206034 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 364 | 9 | 3 | 5 | 1.9 | Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1 | 10.1021/jm00172a033 | ||
| CHEMBL95966 | 206034 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 364 | 9 | 3 | 5 | 1.9 | Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1 | 10.1021/jm00172a033 | ||
| 12043158 | 162678 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CC(O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL418411 | 162678 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CC(O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44338578 | 110086 | 0 | None | - | 0 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 378 | 6 | 2 | 5 | 3.4 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | ||
| CHEMBL325371 | 110086 | 0 | None | - | 0 | Guinea pig | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 378 | 6 | 2 | 5 | 3.4 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)(C)C | 10.1021/jm00122a008 | ||
| 44268539 | 20227 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 527 | 13 | 5 | 7 | 3.4 | CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13068 | 20227 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 527 | 13 | 5 | 7 | 3.4 | CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44298850 | 167620 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 8 | 1 | 4 | 6.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL433252 | 167620 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 8 | 1 | 4 | 6.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44280904 | 99499 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 632 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286438 | 99499 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 632 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 14998851 | 119555 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 6 | 2 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL350581 | 119555 | 0 | None | - | 0 | Dog | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 6 | 2 | 5 | 1.9 | CS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| 44461486 | 203652 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL79806 | 203652 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44298849 | 194778 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 6.3 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56308 | 194778 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 434 | 9 | 1 | 3 | 6.3 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| 14998846 | 56091 | 0 | None | - | 0 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 374 | 7 | 3 | 5 | 1.6 | CS(=O)(=O)Nc1ccc(CNCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL163153 | 56091 | 0 | None | - | 0 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 374 | 7 | 3 | 5 | 1.6 | CS(=O)(=O)Nc1ccc(CNCC2CN(c3ccccc3)CCN2)cc1 | 10.1021/jm00082a016 | ||
| 14739891 | 205996 | 0 | None | - | 0 | Dog | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 408 | 12 | 3 | 6 | 1.8 | COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00172a033 | ||
| CHEMBL95727 | 205996 | 0 | None | - | 0 | Dog | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 408 | 12 | 3 | 6 | 1.8 | COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00172a033 | ||
| 10416448 | 201702 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 622 | 12 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL65461 | 201702 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 622 | 12 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 46882028 | 5681 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 467 | 11 | 3 | 5 | 4.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1COc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078495 | 5681 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 467 | 11 | 3 | 5 | 4.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1COc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 12017004 | 99693 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL287880 | 99693 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44301979 | 100395 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL293577 | 100395 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 130400 | 206644 | 9 | None | - | 0 | Dog | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | ||
| CHEMBL552615 | 206644 | 9 | None | - | 0 | Dog | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | ||
| CHEMBL99585 | 206644 | 9 | None | - | 0 | Dog | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 446 | 12 | 3 | 8 | 1.7 | CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1 | 10.1021/jm00166a002 | ||
| 44281396 | 99497 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286435 | 99497 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44307378 | 202103 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 11 | 3 | 7 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL68334 | 202103 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 11 | 3 | 7 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44301880 | 196962 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 596 | 11 | 3 | 8 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL57908 | 196962 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 596 | 11 | 3 | 8 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 14739897 | 206595 | 0 | None | - | 0 | Dog | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1cccc(OCC(O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 | 10.1021/jm00172a033 | ||
| CHEMBL99331 | 206595 | 0 | None | - | 0 | Dog | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1cccc(OCC(O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 | 10.1021/jm00172a033 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.11.072 | ||
| 24900750 | 70036 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945289 | 70036 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | ||
| 54673354 | 148194 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 808 | 16 | 6 | 12 | 5.9 | COc1cc(NC(=O)CCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3940214 | 148194 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 808 | 16 | 6 | 12 | 5.9 | COc1cc(NC(=O)CCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 71566009 | 143775 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 838 | 17 | 5 | 13 | 5.4 | COc1cc(OCC(=O)N(C)CCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3905320 | 143775 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 838 | 17 | 5 | 13 | 5.4 | COc1cc(OCC(=O)N(C)CCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 118710937 | 113248 | 0 | None | - | 3 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323655 | 113248 | 0 | None | - | 3 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 10282871 | 16372 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3cc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL123745 | 16372 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3cc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44349629 | 18338 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL127422 | 18338 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44307113 | 168817 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 552 | 11 | 3 | 5 | 3.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL442172 | 168817 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 552 | 11 | 3 | 5 | 3.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 155545397 | 172812 | 0 | None | 5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1266 | 41 | 6 | 18 | 5.4 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)CCCCCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21 | 10.1039/C8MD00412A | ||
| CHEMBL4527905 | 172812 | 0 | None | 5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1266 | 41 | 6 | 18 | 5.4 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)CCCCCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21 | 10.1039/C8MD00412A | ||
| 44268254 | 19813 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 302 | 8 | 4 | 5 | 1.5 | Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13034 | 19813 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 302 | 8 | 4 | 5 | 1.5 | Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44268295 | 98092 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 408 | 12 | 4 | 6 | 2.1 | CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL276480 | 98092 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 408 | 12 | 4 | 6 | 2.1 | CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44335572 | 5103 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 475 | 9 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL105968 | 5103 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 475 | 9 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 12049921 | 201883 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL66789 | 201883 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 44281371 | 99658 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 655 | 14 | 3 | 10 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL287567 | 99658 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 655 | 14 | 3 | 10 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281425 | 99843 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 612 | 13 | 4 | 9 | 4.3 | CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL289250 | 99843 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 612 | 13 | 4 | 9 | 4.3 | CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281384 | 118807 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 601 | 14 | 3 | 10 | 4.4 | COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL34406 | 118807 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 601 | 14 | 3 | 10 | 4.4 | COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 2464 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | ||
| 5253 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | ||
| 7297 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | ||
| CHEMBL471 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | ||
| DB00489 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00082a016 | ||
| 44308088 | 201903 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL66936 | 201903 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44377517 | 56936 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 551 | 14 | 3 | 6 | 4.2 | CCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL165015 | 56936 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 551 | 14 | 3 | 6 | 4.2 | CCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 15523860 | 119666 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 593 | 15 | 3 | 6 | 5.2 | CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL351596 | 119666 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 593 | 15 | 3 | 6 | 5.2 | CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 44377650 | 119700 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 577 | 13 | 3 | 6 | 4.6 | O=C1N(CCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL351967 | 119700 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 577 | 13 | 3 | 6 | 4.6 | O=C1N(CCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 10841426 | 116372 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 610 | 11 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL338216 | 116372 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 610 | 11 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| 2464 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | ||
| 5253 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | ||
| 7297 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | ||
| CHEMBL471 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | ||
| DB00489 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00166a002 | ||
| 44268571 | 24427 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 582 | 13 | 6 | 7 | 4.2 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13432 | 24427 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 582 | 13 | 6 | 7 | 4.2 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(98)00170-x | ||
| 44335844 | 4802 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 363 | 9 | 3 | 5 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104377 | 4802 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 363 | 9 | 3 | 5 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44302005 | 100095 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 595 | 11 | 4 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291516 | 100095 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 595 | 11 | 4 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44377665 | 167770 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 567 | 15 | 3 | 7 | 3.4 | COCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL434284 | 167770 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 567 | 15 | 3 | 7 | 3.4 | COCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 57397010 | 70152 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 515 | 11 | 4 | 5 | 5.3 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946761 | 70152 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 515 | 11 | 4 | 5 | 5.3 | O=c1[nH]c2c(O)ccc(CCNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 9803612 | 69861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 446 | 10 | 8 | 8 | 1.3 | OCc1cc(C(O)CN[C@H]2CC[C@H](NCC(O)c3ccc(O)c(CO)c3)CC2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940686 | 69861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 446 | 10 | 8 | 8 | 1.3 | OCc1cc(C(O)CN[C@H]2CC[C@H](NCC(O)c3ccc(O)c(CO)c3)CC2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 10346448 | 119325 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL348501 | 119325 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 54417230 | 69867 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 468 | 12 | 8 | 8 | 1.7 | OCc1cc(C(O)CNCc2ccc(CNCC(O)c3ccc(O)c(CO)c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940809 | 69867 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 468 | 12 | 8 | 8 | 1.7 | OCc1cc(C(O)CNCc2ccc(CNCC(O)c3ccc(O)c(CO)c3)cc2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 44298288 | 101112 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 9 | 1 | 5 | 5.8 | CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL298594 | 101112 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 9 | 1 | 5 | 5.8 | CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44280957 | 112059 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 590 | 13 | 3 | 9 | 3.4 | O=C(CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1)N1CCCC1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL32996 | 112059 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 590 | 13 | 3 | 9 | 3.4 | O=C(CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1)N1CCCC1 | 10.1016/s0960-894x(00)00267-5 | ||
| 2291 | 3135 | 52 | None | -3 | 12 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 2561 | 3135 | 52 | None | -3 | 12 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 4932 | 3135 | 52 | None | -3 | 12 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| CHEMBL631 | 3135 | 52 | None | -3 | 12 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| DB01182 | 3135 | 52 | None | -3 | 12 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 44298256 | 195436 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 426 | 9 | 1 | 6 | 4.7 | CCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56768 | 195436 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 426 | 9 | 1 | 6 | 4.7 | CCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44307343 | 201909 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 12 | 3 | 7 | 2.5 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL66964 | 201909 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 12 | 3 | 7 | 2.5 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 50995330 | 136479 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 7 | 4 | 6 | 3.1 | Nc1nc(CNC(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3746068 | 136479 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 7 | 4 | 6 | 3.1 | Nc1nc(CNC(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1016/j.bmcl.2015.11.030 | ||
| 2464 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | ||
| 5253 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | ||
| 7297 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | ||
| CHEMBL471 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | ||
| DB00489 | 3583 | 52 | None | - | 6 | Dog | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00172a033 | ||
| 44298497 | 193032 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 464 | 11 | 1 | 5 | 5.9 | CCCCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL53359 | 193032 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 464 | 11 | 1 | 5 | 5.9 | CCCCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44377957 | 57198 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 13 | 3 | 6 | 3.8 | CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL166013 | 57198 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 13 | 3 | 6 | 3.8 | CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 46881902 | 7764 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 430 | 9 | 3 | 5 | 3.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1N1CCCC1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089735 | 7764 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 430 | 9 | 3 | 5 | 3.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1N1CCCC1 | 10.1016/j.bmcl.2010.01.130 | ||
| 9826638 | 201608 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 484 | 12 | 4 | 7 | 3.2 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64760 | 201608 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 484 | 12 | 4 | 7 | 3.2 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44268605 | 97962 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 542 | 14 | 6 | 7 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL275511 | 97962 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 542 | 14 | 6 | 7 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44281408 | 112815 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 646 | 13 | 4 | 10 | 4.4 | COC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33155 | 112815 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 646 | 13 | 4 | 10 | 4.4 | COC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 12828562 | 109218 | 0 | None | - | 2 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | ||
| CHEMBL322842 | 109218 | 0 | None | - | 2 | Guinea pig | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | ||
| 44281255 | 114995 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33515 | 114995 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 9958539 | 102631 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL307647 | 102631 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
| 44349367 | 16740 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 487 | 11 | 4 | 7 | 4.9 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL125246 | 16740 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 487 | 11 | 4 | 7 | 4.9 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(00)00669-7 | ||
| 67972106 | 136564 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 448 | 5 | 2 | 5 | 3.3 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCC2(CCOC2=O)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3747244 | 136564 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 448 | 5 | 2 | 5 | 3.3 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCC2(CCOC2=O)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| 80447 | 56932 | 113 | None | - | 0 | Dog | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 207 | 2 | 1 | 4 | 1.0 | O=[N+]([O-])c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL165012 | 56932 | 113 | None | - | 0 | Dog | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 207 | 2 | 1 | 4 | 1.0 | O=[N+]([O-])c1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | ||
| 10138809 | 168519 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL439794 | 168519 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44457929 | 84353 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22318 | 84353 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| 44301818 | 201062 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 572 | 11 | 4 | 8 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL61962 | 201062 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 572 | 11 | 4 | 8 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 12043159 | 99551 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL286800 | 99551 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 14664343 | 11002 | 0 | None | - | 0 | Dog | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 460 | 12 | 3 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | ||
| CHEMBL11629 | 11002 | 0 | None | - | 0 | Dog | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 460 | 12 | 3 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | ||
| CHEMBL1178024 | 11002 | 0 | None | - | 0 | Dog | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 460 | 12 | 3 | 8 | 2.0 | Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1 | 10.1021/jm00166a002 | ||
| 44268277 | 22108 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 408 | 11 | 4 | 6 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13238 | 22108 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 408 | 11 | 4 | 6 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 688467 | 85371 | 2 | None | 14 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229476 | 85371 | 2 | None | 14 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 24900689 | 70020 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945039 | 70020 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 57391554 | 70025 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945044 | 70025 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24901284 | 70043 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945296 | 70043 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 54592025 | 147462 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 695 | 18 | 5 | 10 | 6.4 | CN(CCCCCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C1CCC(OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3934254 | 147462 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 695 | 18 | 5 | 10 | 6.4 | CN(CCCCCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C1CCC(OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 118710948 | 113261 | 0 | None | - | 3 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 386 | 9 | 4 | 5 | 3.5 | CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323668 | 113261 | 0 | None | - | 3 | Guinea pig | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 386 | 9 | 4 | 5 | 3.5 | CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 54590927 | 149315 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 764 | 14 | 6 | 11 | 5.9 | CN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3948979 | 149315 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 764 | 14 | 6 | 11 | 5.9 | CN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 667688 | 85372 | 4 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229477 | 85372 | 4 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 155531982 | 171124 | 0 | None | 6 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 22 | 3 | 9 | 2.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C | 10.1039/C8MD00412A | ||
| CHEMBL4466532 | 171124 | 0 | None | 6 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 22 | 3 | 9 | 2.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C | 10.1039/C8MD00412A | ||
| 46881901 | 7763 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089734 | 7763 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 1155 | 1599 | 45 | None | -2 | 5 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/s0960-894x(03)00538-9 | ||
| 3343 | 1599 | 45 | None | -2 | 5 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/s0960-894x(03)00538-9 | ||
| 557 | 1599 | 45 | None | -2 | 5 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/s0960-894x(03)00538-9 | ||
| CHEMBL32800 | 1599 | 45 | None | -2 | 5 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/s0960-894x(03)00538-9 | ||
| DB01288 | 1599 | 45 | None | -2 | 5 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/s0960-894x(03)00538-9 | ||
| 10360435 | 205384 | 0 | None | - | 0 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 349 | 9 | 4 | 5 | 2.7 | CC(Cc1ccc(OCCF)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1016/s0960-894x(03)00538-9 | ||
| CHEMBL92103 | 205384 | 0 | None | - | 0 | Guinea pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 349 | 9 | 4 | 5 | 2.7 | CC(Cc1ccc(OCCF)cc1)NCC(O)c1cc(O)cc(O)c1 | 10.1016/s0960-894x(03)00538-9 | ||
| 46881796 | 5522 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 401 | 8 | 3 | 6 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1077273 | 5522 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 401 | 8 | 3 | 6 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12 | 10.1016/j.bmcl.2010.01.130 | ||
| 46882029 | 5682 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCn2cccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078496 | 5682 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCn2cccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44335499 | 4923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 439 | 10 | 3 | 5 | 3.9 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104981 | 4923 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 439 | 10 | 3 | 5 | 3.9 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 46881530 | 7242 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1nc2ccccc2[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1086149 | 7242 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1nc2ccccc2[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 117628769 | 144493 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 772 | 15 | 5 | 13 | 5.2 | CN(CCCn1c(=O)oc2cc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| CHEMBL3911114 | 144493 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 772 | 15 | 5 | 13 | 5.2 | CN(CCCn1c(=O)oc2cc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc21)[C@H]1CC[C@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1 | nan | ||
| 44301764 | 100165 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 564 | 15 | 3 | 7 | 6.0 | CCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291992 | 100165 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 564 | 15 | 3 | 7 | 6.0 | CCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| 12049926 | 201393 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 654 | 14 | 3 | 10 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63825 | 201393 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 654 | 14 | 3 | 10 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 3086576 | 176381 | 29 | None | 40 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O | 10.1021/jm801211c | ||
| CHEMBL462313 | 176381 | 29 | None | 40 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O | 10.1021/jm801211c | ||
| CHEMBL513390 | 176381 | 29 | None | 40 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O | 10.1021/jm801211c | ||
| 44307333 | 201979 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 472 | 12 | 4 | 8 | 2.0 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67416 | 201979 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 472 | 12 | 4 | 8 | 2.0 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298515 | 194175 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 5.1 | CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL55852 | 194175 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 5.1 | CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 15123375 | 57189 | 3 | None | - | 0 | Dog | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 295 | 4 | 2 | 3 | 1.9 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccccc1 | 10.1021/jm00082a016 | ||
| CHEMBL165901 | 57189 | 3 | None | - | 0 | Dog | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 295 | 4 | 2 | 3 | 1.9 | O=C(NCC1CN(c2ccccc2)CCN1)c1ccccc1 | 10.1021/jm00082a016 | ||
| 44268214 | 18382 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 331 | 10 | 3 | 5 | 2.4 | COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12762 | 18382 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 331 | 10 | 3 | 5 | 2.4 | COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44298851 | 100088 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 463 | 11 | 1 | 4 | 6.5 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL291467 | 100088 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 463 | 11 | 1 | 4 | 6.5 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 57401435 | 70057 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945503 | 70057 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | ||
| 24900423 | 70192 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 537 | 9 | 4 | 6 | 5.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(-c4cccc(CN5Cc6ccccc6C5)c4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1947154 | 70192 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 537 | 9 | 4 | 6 | 5.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(-c4cccc(CN5Cc6ccccc6C5)c4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 44268341 | 22556 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13278 | 22556 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| 14998850 | 119488 | 0 | None | - | 0 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 | 10.1021/jm00082a016 | ||
| CHEMBL349978 | 119488 | 0 | None | - | 0 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 418 | 7 | 3 | 6 | 1.3 | COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1 | 10.1021/jm00082a016 | ||
| 44306992 | 202066 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 442 | 11 | 4 | 7 | 2.0 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67993 | 202066 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 442 | 11 | 4 | 7 | 2.0 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 12017011 | 99900 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL289689 | 99900 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44298731 | 196404 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 429 | 10 | 2 | 3 | 4.9 | CCCCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL57430 | 196404 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 429 | 10 | 2 | 3 | 4.9 | CCCCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 57395043 | 70048 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 420 | 12 | 5 | 5 | 3.1 | OCc1cc([C@@H](O)CNCCc2ccc(CNCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945300 | 70048 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 420 | 12 | 5 | 5 | 3.1 | OCc1cc([C@@H](O)CNCCc2ccc(CNCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.10.049 | ||
| 44301842 | 197193 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 606 | 11 | 3 | 7 | 6.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL58407 | 197193 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 606 | 11 | 3 | 7 | 6.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44307205 | 202119 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 584 | 17 | 6 | 8 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL68408 | 202119 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 584 | 17 | 6 | 8 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44280860 | 99452 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 521 | 13 | 3 | 8 | 4.1 | CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL286139 | 99452 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 521 | 13 | 3 | 8 | 4.1 | CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44461489 | 203641 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL79675 | 203641 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44298752 | 195183 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.5 | CCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56594 | 195183 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.5 | CCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 2369 | 615 | 75 | None | - | 8 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | ||
| 356 | 615 | 75 | None | - | 8 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | ||
| 549 | 615 | 75 | None | - | 8 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | ||
| CHEMBL423 | 615 | 75 | None | - | 8 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | ||
| DB00195 | 615 | 75 | None | - | 8 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00350a009 | ||
| 44349646 | 16690 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3ccc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL124929 | 16690 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3ccc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| 12043157 | 116250 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL33755 | 116250 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| 14739901 | 206001 | 0 | None | - | 0 | Dog | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1ccccc1OCC(O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1021/jm00172a033 | ||
| CHEMBL95754 | 206001 | 0 | None | - | 0 | Dog | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 1.9 | Cc1ccccc1OCC(O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1021/jm00172a033 | ||
| 9871525 | 16730 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1cccc(I)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL125168 | 16730 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1cccc(I)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| 3038500 | 9250 | 8 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL111201 | 9250 | 8 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 46881698 | 7089 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 458 | 10 | 3 | 5 | 2.9 | O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085444 | 7089 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 458 | 10 | 3 | 5 | 2.9 | O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 12049924 | 202100 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 606 | 13 | 3 | 9 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL68301 | 202100 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 606 | 13 | 3 | 9 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 46881981 | 5663 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCn1cccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078395 | 5663 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCn1cccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44281469 | 99655 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL287561 | 99655 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 4183 | 1994 | 62 | None | - | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| 6918554 | 1994 | 62 | None | - | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| 7455 | 1994 | 62 | None | - | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1095777 | 1994 | 62 | None | - | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| DB05039 | 1994 | 62 | None | - | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| 57400229 | 70045 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1945298 | 70045 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | ||
| 44268496 | 97923 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 542 | 13 | 6 | 7 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL275291 | 97923 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 542 | 13 | 6 | 7 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44303192 | 201594 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL64697 | 201594 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44461717 | 105200 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL312546 | 105200 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44461716 | 203601 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL79363 | 203601 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44298700 | 101476 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 2.5 | CN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL301202 | 101476 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 2.5 | CN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 97478 | 9836 | 96 | None | - | 0 | Dog | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | ||
| CHEMBL114478 | 9836 | 96 | None | - | 0 | Dog | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 196 | 1 | 1 | 2 | 1.8 | Clc1ccc(N2CCNCC2)cc1 | 10.1021/jm00082a016 | ||
| 44349645 | 113019 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)N(c1nc(-c3ccc(OC(F)(F)F)cc3)cs1)CC2)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL332132 | 113019 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)N(c1nc(-c3ccc(OC(F)(F)F)cc3)cs1)CC2)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | ||
| 44313150 | 103301 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL308868 | 103301 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 9810596 | 16620 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 734 | 11 | 4 | 9 | 8.0 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc2cc(CCNC[C@H](O)c3cccnc3)ccc2c1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL124597 | 16620 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 734 | 11 | 4 | 9 | 8.0 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc2cc(CCNC[C@H](O)c3cccnc3)ccc2c1 | 10.1016/s0960-894x(00)00669-7 | ||
| 155527302 | 170661 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 355 | 12 | 2 | 6 | 2.3 | COC(=O)CSCCCc1ccccc1OCC(O)CNC(C)C | 10.1039/C8MD00412A | ||
| CHEMBL4459696 | 170661 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 355 | 12 | 2 | 6 | 2.3 | COC(=O)CSCCCc1ccccc1OCC(O)CNC(C)C | 10.1039/C8MD00412A | ||
| 42629372 | 63316 | 0 | None | 52 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL1800962 | 63316 | 0 | None | 52 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 44281530 | 99359 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL285499 | 99359 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44268570 | 97743 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.8 | CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL274144 | 97743 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 598 | 17 | 5 | 7 | 4.8 | CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 12049925 | 98241 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL277613 | 98241 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 44377514 | 56220 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL163579 | 56220 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44298761 | 193344 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 331 | 3 | 2 | 3 | 2.2 | CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL54885 | 193344 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 331 | 3 | 2 | 3 | 2.2 | CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 44307379 | 201951 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 427 | 11 | 3 | 6 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67251 | 201951 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 427 | 11 | 3 | 6 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298290 | 167643 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 3.9 | Cc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL433454 | 167643 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 3.9 | Cc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 15483883 | 99768 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL288550 | 99768 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44298822 | 193326 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 460 | 8 | 1 | 3 | 6.7 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL54750 | 193326 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 460 | 8 | 1 | 3 | 6.7 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| 21138 | 97999 | 34 | None | -1 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| CHEMBL275742 | 97999 | 34 | None | -1 | 7 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| 10054165 | 84352 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL22317 | 84352 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44377754 | 119445 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 4.7 | O=c1n(CCCC2CCCC2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL349651 | 119445 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 589 | 14 | 3 | 8 | 4.7 | O=c1n(CCCC2CCCC2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 10651078 | 17760 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL125963 | 17760 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 | 10.1021/jm000286i | ||
| 44312924 | 164274 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL421871 | 164274 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 10054896 | 113640 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33292 | 113640 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 12049920 | 102159 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL304298 | 102159 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 46881701 | 6786 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 477 | 9 | 3 | 8 | 3.0 | Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1084145 | 6786 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 477 | 9 | 3 | 8 | 3.0 | Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C | 10.1016/j.bmcl.2010.01.130 | ||
| 44338579 | 162751 | 0 | None | - | 0 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 7 | 2 | 5 | 3.0 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | ||
| CHEMBL418819 | 162751 | 0 | None | - | 0 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 7 | 2 | 5 | 3.0 | COC12CCCCC1c1ccc(F)cc1/C2=N/OCC(O)CNC(C)C | 10.1021/jm00122a008 | ||
| 44338132 | 109918 | 0 | None | - | 0 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 8 | 3 | 6 | 3.0 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12OCCO | 10.1021/jm00122a008 | ||
| CHEMBL324412 | 109918 | 0 | None | - | 0 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 8 | 3 | 6 | 3.0 | CC(C)(C)NCC(O)CO/N=C1/c2ccccc2C2CCCCCC12OCCO | 10.1021/jm00122a008 | ||
| 57393524 | 70157 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 12 | 3 | 6 | 5.8 | CCN(Cc1ccncc1)Cc1cccc(-c2ccc(CCNCCc3ccc(O)c4[nH]c(=O)sc34)cc2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| CHEMBL1946766 | 70157 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 12 | 3 | 6 | 5.8 | CCN(Cc1ccncc1)Cc1cccc(-c2ccc(CCNCCc3ccc(O)c4[nH]c(=O)sc34)cc2)c1 | 10.1016/j.bmcl.2011.10.049 | ||
| 9799092 | 47042 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154419 | 47042 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 21435491 | 69859 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 448 | 15 | 8 | 8 | 1.6 | OCc1cc(C(O)CNCCCCCCNCC(O)c2ccc(O)c(CO)c2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| CHEMBL1940683 | 69859 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 448 | 15 | 8 | 8 | 1.6 | OCc1cc(C(O)CNCCCCCCNCC(O)c2ccc(O)c(CO)c2)ccc1O | 10.1016/j.bmcl.2011.11.072 | ||
| 54590925 | 152779 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 794 | 15 | 6 | 12 | 5.9 | COc1cc(NC(=O)CCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3978112 | 152779 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 794 | 15 | 6 | 12 | 5.9 | COc1cc(NC(=O)CCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 118710950 | 113263 | 0 | None | - | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323670 | 113263 | 0 | None | - | 3 | Guinea pig | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 44335618 | 4719 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 497 | 12 | 5 | 6 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104061 | 4719 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 497 | 12 | 5 | 6 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44335497 | 4754 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 397 | 9 | 3 | 5 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104180 | 4754 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 397 | 9 | 3 | 5 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44335882 | 4835 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 425 | 11 | 3 | 5 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104551 | 4835 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 425 | 11 | 3 | 5 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44335560 | 5243 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL106746 | 5243 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44301806 | 100253 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL292598 | 100253 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44281343 | 109880 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 639 | 14 | 3 | 13 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL32418 | 109880 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 639 | 14 | 3 | 13 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44298281 | 193061 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 463 | 6 | 1 | 3 | 4.9 | CN(C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21)C(C)(C)Cc1ccccc1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL53517 | 193061 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 463 | 6 | 1 | 3 | 4.9 | CN(C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21)C(C)(C)Cc1ccccc1 | 10.1016/s0960-894x(99)00277-2 | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| 44335663 | 4722 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 560 | 13 | 4 | 7 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1)OCCc1ccccc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104076 | 4722 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 560 | 13 | 4 | 7 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1)OCCc1ccccc1 | 10.1016/s0960-894x(98)00571-x | ||
| 155552760 | 173537 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 548 | 24 | 4 | 10 | -0.2 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)CS(=O)(=O)O | 10.1039/C8MD00412A | ||
| CHEMBL4545079 | 173537 | 0 | None | -2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 548 | 24 | 4 | 10 | -0.2 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)CS(=O)(=O)O | 10.1039/C8MD00412A | ||
| 44268266 | 17824 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 317 | 8 | 4 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12633 | 17824 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 317 | 8 | 4 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 40424734 | 166059 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 301 | 8 | 2 | 4 | 2.6 | COc1ccc(CCNC[C@H](O)c2ccccc2)cc1OC | 10.1039/C7MD00656J | ||
| CHEMBL4280606 | 166059 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 301 | 8 | 2 | 4 | 2.6 | COc1ccc(CCNC[C@H](O)c2ccccc2)cc1OC | 10.1039/C7MD00656J | ||
| 76336501 | 105447 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 482 | 6 | 4 | 6 | 4.4 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccc(Cl)c3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128198 | 105447 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 482 | 6 | 4 | 6 | 4.4 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccc(Cl)c3)N2)cc1 | 10.1021/jm4017224 | ||
| 44461485 | 106460 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL314893 | 106460 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44280795 | 112085 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 12 | 3 | 8 | 3.8 | CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL33013 | 112085 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 12 | 3 | 8 | 3.8 | CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 155537995 | 171769 | 0 | None | 109 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 593 | 23 | 5 | 10 | 0.2 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CS(=O)(=O)O | 10.1039/C8MD00412A | ||
| CHEMBL4475573 | 171769 | 0 | None | 109 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 593 | 23 | 5 | 10 | 0.2 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CS(=O)(=O)O | 10.1039/C8MD00412A | ||
| 12049922 | 102268 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL304991 | 102268 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 638 | 13 | 3 | 9 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 46881617 | 7861 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 397 | 9 | 4 | 7 | 2.2 | Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1090425 | 7861 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 397 | 9 | 4 | 7 | 2.2 | Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| 12049914 | 201899 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL66908 | 201899 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 12049923 | 201976 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL67404 | 201976 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 54673357 | 145080 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 795 | 17 | 5 | 12 | 6.7 | COc1cc(OCCCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| CHEMBL3915601 | 145080 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 795 | 17 | 5 | 12 | 6.7 | COc1cc(OCCCCN(C)[C@H]2CC[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | nan | ||
| 44307065 | 201641 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 2.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64932 | 201641 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 2.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298516 | 193916 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 8 | 1 | 5 | 6.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL55541 | 193916 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 8 | 1 | 5 | 6.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44335588 | 5201 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 496 | 13 | 4 | 6 | 3.9 | CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL106487 | 5201 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 496 | 13 | 4 | 6 | 3.9 | CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44461719 | 204149 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL83754 | 204149 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 12017013 | 135758 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 588 | 13 | 3 | 8 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL37335 | 135758 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 588 | 13 | 3 | 8 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44301617 | 197038 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 640 | 16 | 3 | 7 | 7.7 | CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL58241 | 197038 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 640 | 16 | 3 | 7 | 7.7 | CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44281372 | 99656 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 621 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL287562 | 99656 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 621 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44301843 | 197927 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 584 | 13 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL59270 | 197927 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 584 | 13 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 10416656 | 18422 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3c(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cccc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| CHEMBL127656 | 18422 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3c(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cccc32)n1 | 10.1016/s0960-894x(00)00669-7 | ||
| 12049915 | 102366 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL305558 | 102366 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 44301881 | 100069 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291306 | 100069 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44307186 | 202072 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 455 | 12 | 3 | 6 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL68021 | 202072 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 455 | 12 | 3 | 6 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 12017014 | 99849 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 608 | 12 | 3 | 7 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL289316 | 99849 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 608 | 12 | 3 | 7 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44281344 | 99382 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 628 | 14 | 4 | 10 | 4.3 | CC(=O)Nc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL285704 | 99382 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 628 | 14 | 4 | 10 | 4.3 | CC(=O)Nc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281531 | 100056 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 601 | 13 | 3 | 9 | 5.1 | CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL291246 | 100056 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 601 | 13 | 3 | 9 | 5.1 | CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 155521599 | 170167 | 0 | None | 10 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1311 | 40 | 7 | 18 | 5.9 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CCCCCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21 | 10.1039/C8MD00412A | ||
| CHEMBL4452249 | 170167 | 0 | None | 10 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1311 | 40 | 7 | 18 | 5.9 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CCCCCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21 | 10.1039/C8MD00412A | ||
| 12043156 | 167586 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 575 | 14 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL433042 | 167586 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 575 | 14 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| 10012704 | 11117 | 0 | None | - | 2 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178768 | 11117 | 0 | None | - | 2 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL39987 | 11117 | 0 | None | - | 2 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| 5806 | 102703 | 16 | None | - | 3 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | ||
| CHEMBL30816 | 102703 | 16 | None | - | 3 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | ||
| 10371216 | 99286 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL285001 | 99286 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 10627736 | 116495 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL338794 | 116495 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| 44306979 | 202000 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 7 | 2.7 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67534 | 202000 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 476 | 11 | 4 | 7 | 2.7 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44313161 | 103299 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL308860 | 103299 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 65691 | 77802 | 17 | None | - | 1 | Human | 10.5 | pKd | = | 10.5 | Binding | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NCC(O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL2104145 | 77802 | 17 | None | - | 1 | Human | 10.5 | pKd | = | 10.5 | Binding | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NCC(O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| 25271869 | 158085 | 2 | None | 38 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4092412 | 158085 | 2 | None | 38 | 2 | Human | 10.5 | pKd | = | 10.5 | Binding | ChEMBL | 299 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| 164612037 | 184795 | 0 | None | -1 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -1 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -4 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -4 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -4 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -1 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -1 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -1 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -1 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -1 | 20 | Human | 10.2 | pKd | = | 10.2 | 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 | -1 | 20 | Human | 10.2 | pKd | = | 10.2 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 33624 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | ||
| 4061 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | ||
| 565 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | ||
| CHEMBL499 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | ||
| DB00373 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00156a028 | ||
| 3682 | 188847 | 7 | None | -1 | 8 | Guinea pig | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL1256784 | 188847 | 7 | None | -1 | 8 | Guinea pig | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL513389 | 188847 | 7 | None | -1 | 8 | Guinea pig | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmcl.2014.12.077 | ||
| 2585 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1021/acs.jmedchem.9b00595 | ||
| 522 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1021/acs.jmedchem.9b00595 | ||
| 551 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL723 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1021/acs.jmedchem.9b00595 | ||
| DB01136 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1021/acs.jmedchem.9b00595 | ||
| 2687 | 876 | 15 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 532 | 876 | 15 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 5387 | 876 | 15 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL420746 | 876 | 15 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 33624 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | ||
| 4061 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | ||
| 565 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | ||
| CHEMBL499 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | ||
| DB00373 | 3761 | 29 | None | -1 | 9 | Guinea pig | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/jm00361a004 | ||
| 5311179 | 1943 | 18 | None | 85 | 3 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | ||
| 543 | 1943 | 18 | None | 85 | 3 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | ||
| 5484725 | 1943 | 18 | None | 85 | 3 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL1233766 | 1943 | 18 | None | 85 | 3 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL198059 | 1943 | 18 | None | 85 | 3 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acsmedchemlett.6b00363 | ||
| 11625619 | 77266 | 0 | None | 4 | 2 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088201 | 77266 | 0 | None | 4 | 2 | Human | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 5311179 | 1943 | 18 | None | 85 | 3 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 543 | 1943 | 18 | None | 85 | 3 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 5484725 | 1943 | 18 | None | 85 | 3 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL1233766 | 1943 | 18 | None | 85 | 3 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL198059 | 1943 | 18 | None | 85 | 3 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| 71707 | 10110 | 20 | None | - | 1 | Bovine | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 249 | 7 | 2 | 3 | 2.3 | CC(C)NCC(O)COc1ccccc1C1CC1 | 10.1021/jm00147a037 | ||
| CHEMBL1159892 | 10110 | 20 | None | - | 1 | Bovine | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 249 | 7 | 2 | 3 | 2.3 | CC(C)NCC(O)COc1ccccc1C1CC1 | 10.1021/jm00147a037 | ||
| 688570 | 186278 | 18 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL489553 | 186278 | 18 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | 10.1016/j.bmcl.2013.07.052 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 2176 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| 4828 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| 91 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL500 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| DB00960 | 3077 | 66 | None | -2 | 26 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 54669764 | 65161 | 0 | None | 37 | 3 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830491 | 65161 | 0 | None | 37 | 3 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 43216 | 10101 | 7 | None | 4 | 2 | Bovine | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCCc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00147a037 | ||
| CHEMBL1159723 | 10101 | 7 | None | 4 | 2 | Bovine | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 251 | 8 | 2 | 3 | 2.4 | CCCc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00147a037 | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2008.12.016 | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm400348g | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm400348g | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm400348g | ||
| 132 | 1249 | 9 | None | -1 | 13 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/acs.jmedchem.6b00358 | ||
| 155346 | 1249 | 9 | None | -1 | 13 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL378501 | 1249 | 9 | None | -1 | 13 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 287 | 5 | 3 | 4 | 2.2 | N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2 | 10.1021/acs.jmedchem.6b00358 | ||
| 54756927 | 65156 | 0 | None | 97 | 3 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830486 | 65156 | 0 | None | 97 | 3 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 165193 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| 2303 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| 4946 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| 564 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| 62882 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| 63 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| 66366 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| 91536 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| CHEMBL27 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| CHEMBL452861 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| DB00571 | 3138 | 60 | None | -2 | 42 | Bovine | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00147a037 | ||
| 204665 | 10140 | 9 | None | 1 | 2 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL1160734 | 10140 | 9 | None | 1 | 2 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 54757232 | 65185 | 0 | None | 30 | 3 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830618 | 65185 | 0 | None | 30 | 3 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00156a028 | ||
| 12179890 | 94197 | 1 | None | -3 | 2 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OC[C@@H](O)CNC(C)C)c1 | 10.1021/jm800227h | ||
| CHEMBL252319 | 94197 | 1 | None | -3 | 2 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OC[C@@H](O)CNC(C)C)c1 | 10.1021/jm800227h | ||
| 54757331 | 65186 | 0 | None | 39 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830619 | 65186 | 0 | None | 39 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00354a003 | ||
| 13040879 | 23651 | 0 | None | 1 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | ||
| CHEMBL13365 | 23651 | 0 | None | 1 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | ||
| 9904228 | 98831 | 0 | None | 1 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | ||
| CHEMBL281967 | 98831 | 0 | None | 1 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | ||
| 105110 | 99668 | 6 | None | 1 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 273 | 7 | 2 | 3 | 2.8 | CC(C)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| CHEMBL287651 | 99668 | 6 | None | 1 | 2 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 273 | 7 | 2 | 3 | 2.8 | CC(C)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| 155569481 | 175642 | 0 | None | 8 | 2 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4594173 | 175642 | 0 | None | 8 | 2 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 11823027 | 192016 | 33 | None | -1 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1021/acs.jmedchem.6b00358 | ||
| 4411 | 192016 | 33 | None | -1 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL521606 | 192016 | 33 | None | -1 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1021/acs.jmedchem.6b00358 | ||
| 54757026 | 65159 | 0 | None | 74 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830489 | 65159 | 0 | None | 74 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00208a015 | ||
| 54758417 | 65155 | 0 | None | 38 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830485 | 65155 | 0 | None | 38 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 13040881 | 98717 | 0 | None | 1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 295 | 7 | 2 | 5 | 2.0 | CCOC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | ||
| CHEMBL281294 | 98717 | 0 | None | 1 | 2 | Guinea pig | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 295 | 7 | 2 | 5 | 2.0 | CCOC(=O)c1ccccc1OCC(O)CNC(C)(C)C | 10.1021/jm00354a003 | ||
| 155518547 | 169723 | 0 | None | 29 | 2 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 558 | 20 | 6 | 7 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4446394 | 169723 | 0 | None | 29 | 2 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 558 | 20 | 6 | 7 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 26227 | 91854 | 5 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 265 | 5 | 4 | 4 | 2.4 | CCC(NC1CCCC1)C(O)c1ccc(O)c(O)c1 | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL2426777 | 91854 | 5 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 265 | 5 | 4 | 4 | 2.4 | CCC(NC1CCCC1)C(O)c1ccc(O)c(O)c1 | 10.1016/j.bmcl.2013.07.052 | ||
| 2843596 | 10096 | 5 | None | - | 1 | Bovine | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 237 | 6 | 2 | 3 | 2.0 | Cc1cc(C)cc(OCC(O)CNC(C)C)c1 | 10.1021/jm00147a037 | ||
| CHEMBL1159714 | 10096 | 5 | None | - | 1 | Bovine | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 237 | 6 | 2 | 3 | 2.0 | Cc1cc(C)cc(OCC(O)CNC(C)C)c1 | 10.1021/jm00147a037 | ||
| 10332812 | 202233 | 2 | None | - | 1 | Bovine | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00147a037 | ||
| CHEMBL6920 | 202233 | 2 | None | - | 1 | Bovine | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00147a037 | ||
| 54758415 | 65188 | 0 | None | 6 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830621 | 65188 | 0 | None | 6 | 3 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| 1155 | 1599 | 45 | None | 2 | 5 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 3343 | 1599 | 45 | None | 2 | 5 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 557 | 1599 | 45 | None | 2 | 5 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL32800 | 1599 | 45 | None | 2 | 5 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| DB01288 | 1599 | 45 | None | 2 | 5 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 56666465 | 63484 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 282 | 3 | 4 | 6 | 0.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)CO[B-](O)(O)O2 | 10.1021/jm200371q | ||
| CHEMBL1802359 | 63484 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 282 | 3 | 4 | 6 | 0.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)CO[B-](O)(O)O2 | 10.1021/jm200371q | ||
| 15578606 | 107480 | 2 | None | -3 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | COC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| CHEMBL31938 | 107480 | 2 | None | -3 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | COC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| 15578577 | 172003 | 0 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | COC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| CHEMBL448775 | 172003 | 0 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | COC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| 3762 | 14331 | 24 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | 239 | 5 | 4 | 4 | 1.9 | CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL1201153 | 14331 | 24 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | 239 | 5 | 4 | 4 | 1.9 | CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL1201213 | 14331 | 24 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | 239 | 5 | 4 | 4 | 1.9 | CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 | 10.1016/j.bmcl.2013.07.052 | ||
| 15578575 | 99261 | 2 | None | -3 | 2 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 281 | 10 | 2 | 5 | 1.4 | CCOC(=O)CCCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| CHEMBL284808 | 99261 | 2 | None | -3 | 2 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 281 | 10 | 2 | 5 | 1.4 | CCOC(=O)CCCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| 44279490 | 104169 | 0 | None | -1 | 2 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 297 | 9 | 2 | 5 | 1.8 | CCOC(=O)CCNCC(O)COC1=CC=CCC1(C)C | 10.1021/jm00354a002 | ||
| CHEMBL31050 | 104169 | 0 | None | -1 | 2 | Guinea pig | 6.0 | pKd | = | 6 | Binding | ChEMBL | 297 | 9 | 2 | 5 | 1.8 | CCOC(=O)CCNCC(O)COC1=CC=CCC1(C)C | 10.1021/jm00354a002 | ||
| 16737587 | 159745 | 0 | None | -1 | 2 | Human | 4.0 | pKd | = | 4 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL4110387 | 159745 | 0 | None | -1 | 2 | Human | 4.0 | pKd | = | 4 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 14348818 | 109286 | 0 | None | -12 | 3 | Guinea pig | 4.0 | pKd | = | 4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| CHEMBL323176 | 109286 | 0 | None | -12 | 3 | Guinea pig | 4.0 | pKd | = | 4 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| 71662409 | 87826 | 0 | None | -85 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Br)c1 | 10.1021/jm400348g | ||
| CHEMBL2348204 | 87826 | 0 | None | -85 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Br)c1 | 10.1021/jm400348g | ||
| 667688 | 85372 | 4 | None | - | 1 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229477 | 85372 | 4 | None | - | 1 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 2369 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | ||
| 356 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | ||
| 549 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | ||
| CHEMBL423 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | ||
| DB00195 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00361a004 | ||
| 2369 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | ||
| 356 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | ||
| 549 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | ||
| CHEMBL423 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | ||
| DB00195 | 615 | 75 | None | -9 | 8 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10.1021/jm00156a028 | ||
| 16737588 | 85389 | 0 | None | 4 | 2 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | nan | ||
| CHEMBL229620 | 85389 | 0 | None | 4 | 2 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | nan | ||
| 13621716 | 75595 | 0 | None | -165 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| CHEMBL2052005 | 75595 | 0 | None | -165 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNC[C@H](O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| 13621710 | 9209 | 0 | None | -478 | 2 | Guinea pig | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11097 | 9209 | 0 | None | -478 | 2 | Guinea pig | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 2258 | 3116 | 36 | None | -1 | 2 | Bovine | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| 42396 | 3116 | 36 | None | -1 | 2 | Bovine | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| 537 | 3116 | 36 | None | -1 | 2 | Bovine | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| CHEMBL1160714 | 3116 | 36 | None | -1 | 2 | Bovine | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| DB13777 | 3116 | 36 | None | -1 | 2 | Bovine | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| 105 | 3405 | 84 | None | -5 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| 2083 | 3405 | 84 | None | -5 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| 558 | 3405 | 84 | None | -5 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL714 | 3405 | 84 | None | -5 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| DB01001 | 3405 | 84 | None | -5 | 6 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| 56597178 | 87831 | 0 | None | -10 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1O | 10.1021/jm400348g | ||
| CHEMBL2348209 | 87831 | 0 | None | -10 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1O | 10.1021/jm400348g | ||
| 3067050 | 92986 | 1 | None | 3 | 2 | Guinea pig | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.7 | C=CC(C)(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| CHEMBL24586 | 92986 | 1 | None | 3 | 2 | Guinea pig | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.7 | C=CC(C)(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| 45269924 | 193777 | 0 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 283 | 6 | 5 | 6 | -0.1 | CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1 | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL552398 | 193777 | 0 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 283 | 6 | 5 | 6 | -0.1 | CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1 | 10.1016/j.ejmech.2008.12.016 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.6b00358 | ||
| 71662248 | 87819 | 0 | None | -75 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1F | 10.1021/jm400348g | ||
| CHEMBL2348197 | 87819 | 0 | None | -75 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1F | 10.1021/jm400348g | ||
| 105 | 3405 | 84 | None | -5 | 6 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| 2083 | 3405 | 84 | None | -5 | 6 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| 558 | 3405 | 84 | None | -5 | 6 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL714 | 3405 | 84 | None | -5 | 6 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| DB01001 | 3405 | 84 | None | -5 | 6 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.ejmech.2008.12.016 | ||
| 56599100 | 87837 | 0 | None | -12 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348215 | 87837 | 0 | None | -12 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | ||
| 2249 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | ||
| 255 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | ||
| 548 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | ||
| CHEMBL24 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | ||
| DB00335 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00361a004 | ||
| 2249 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | ||
| 255 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | ||
| 548 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | ||
| CHEMBL24 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | ||
| DB00335 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00156a028 | ||
| 12548683 | 22640 | 0 | None | -2 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | ||
| CHEMBL13284 | 22640 | 0 | None | -2 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | ||
| 13040886 | 99274 | 0 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | ||
| CHEMBL284909 | 99274 | 0 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccccc1OCC(O)CNC(C)C | 10.1021/jm00354a003 | ||
| 5464103 | 91105 | 16 | None | -1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N/OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | ||
| CHEMBL24045 | 91105 | 16 | None | -1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N/OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | ||
| 6917762 | 9234 | 7 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| CHEMBL111103 | 9234 | 7 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| 70695511 | 77507 | 1 | None | -1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | ||
| CHEMBL2093060 | 77507 | 1 | None | -1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | ||
| 6917762 | 9234 | 7 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | ||
| CHEMBL111103 | 9234 | 7 | None | 1 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00115a008 | ||
| 24208809 | 109950 | 34 | None | 5 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 209 | 5 | 2 | 3 | 1.7 | COc1ccccc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL3246226 | 109950 | 34 | None | 5 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 209 | 5 | 2 | 3 | 1.7 | COc1ccccc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| 2249 | 509 | 106 | None | -33 | 11 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 255 | 509 | 106 | None | -33 | 11 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 548 | 509 | 106 | None | -33 | 11 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL24 | 509 | 106 | None | -33 | 11 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| DB00335 | 509 | 106 | None | -33 | 11 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 56599102 | 87821 | 0 | None | -60 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(F)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348199 | 87821 | 0 | None | -60 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(F)cc1 | 10.1021/jm400348g | ||
| 71662249 | 87824 | 0 | None | -109 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Cl)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348202 | 87824 | 0 | None | -109 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Cl)cc1 | 10.1021/jm400348g | ||
| 56598832 | 87840 | 0 | None | -588 | 3 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348218 | 87840 | 0 | None | -588 | 3 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 13157380 | 61808 | 0 | None | -2041 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.8 | COc1ccc(CC(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| CHEMBL177765 | 61808 | 0 | None | -2041 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.8 | COc1ccc(CC(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| 11722868 | 103900 | 0 | None | -7 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL31025 | 103900 | 0 | None | -7 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 309 | 8 | 2 | 5 | 1.9 | COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | ||
| 2249 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | ||
| 255 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | ||
| 548 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL24 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | ||
| DB00335 | 509 | 106 | None | -6 | 11 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/jm00208a015 | ||
| 60903220 | 109952 | 2 | None | -1 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1cccc(Br)c1 | 10.1021/jm00208a015 | ||
| CHEMBL3246229 | 109952 | 2 | None | -1 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1cccc(Br)c1 | 10.1021/jm00208a015 | ||
| 2725073 | 98688 | 52 | None | -10 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 167 | 4 | 2 | 3 | 0.4 | NCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| CHEMBL281109 | 98688 | 52 | None | -10 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 167 | 4 | 2 | 3 | 0.4 | NCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| 15578573 | 106878 | 2 | None | -25 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 267 | 9 | 2 | 5 | 1.0 | CCOC(=O)CCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| CHEMBL31772 | 106878 | 2 | None | -25 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 267 | 9 | 2 | 5 | 1.0 | CCOC(=O)CCNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| 13040905 | 106070 | 0 | None | -10 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 343 | 10 | 2 | 5 | 2.3 | COC(=O)CCc1ccc(OCC(O)CNCc2ccccc2)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL31416 | 106070 | 0 | None | -10 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 343 | 10 | 2 | 5 | 2.3 | COC(=O)CCc1ccc(OCC(O)CNCc2ccccc2)cc1 | 10.1021/jm00354a003 | ||
| 15578598 | 99767 | 2 | None | -7 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1ccc(OC)cc1 | 10.1021/jm00354a002 | ||
| CHEMBL288546 | 99767 | 2 | None | -7 | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1ccc(OC)cc1 | 10.1021/jm00354a002 | ||
| 23844 | 10104 | 24 | None | - | 1 | Bovine | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 209 | 3 | 3 | 3 | 1.8 | CC(C)(C)NCC(O)c1ccc(O)cc1 | 10.1021/jm00147a037 | ||
| CHEMBL1159887 | 10104 | 24 | None | - | 1 | Bovine | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 209 | 3 | 3 | 3 | 1.8 | CC(C)(C)NCC(O)c1ccc(O)cc1 | 10.1021/jm00147a037 | ||
| 21493193 | 110917 | 0 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 394 | 12 | 4 | 6 | 2.0 | CC(C)NCC(O)COc1cc2c(cc1OCC(O)CNC(C)C)CCCC2 | 10.1021/jm00214a013 | ||
| CHEMBL3272439 | 110917 | 0 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 394 | 12 | 4 | 6 | 2.0 | CC(C)NCC(O)COc1cc2c(cc1OCC(O)CNC(C)C)CCCC2 | 10.1021/jm00214a013 | ||
| 13157365 | 127287 | 0 | None | -239 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 465 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(F)(F)F)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| CHEMBL366389 | 127287 | 0 | None | -239 | 2 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 465 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(F)(F)F)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| 12462216 | 112172 | 0 | None | -2 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1cc(Br)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL3246228 | 112172 | 0 | None | -2 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1cc(Br)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL3303705 | 112172 | 0 | None | -2 | 2 | Guinea pig | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1cc(Br)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| 5606 | 10098 | 63 | None | - | 1 | Bovine | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | 10.1021/jm00147a037 | ||
| CHEMBL1159717 | 10098 | 63 | None | - | 1 | Bovine | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | 10.1021/jm00147a037 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| 1786 | 2484 | 79 | None | -25 | 11 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 4171 | 2484 | 79 | None | -25 | 11 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 553 | 2484 | 79 | None | -25 | 11 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL13 | 2484 | 79 | None | -25 | 11 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| DB00264 | 2484 | 79 | None | -25 | 11 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 13157406 | 9339 | 0 | None | -144 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| CHEMBL11171 | 9339 | 0 | None | -144 | 2 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| 6317 | 18323 | 36 | None | - | 1 | Bovine | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 224 | 5 | 2 | 4 | 1.6 | CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00147a037 | ||
| CHEMBL127349 | 18323 | 36 | None | - | 1 | Bovine | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 224 | 5 | 2 | 4 | 1.6 | CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00147a037 | ||
| 56599097 | 87818 | 0 | None | -87 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348196 | 87818 | 0 | None | -87 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | ||
| 56599231 | 87827 | 0 | None | -81 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Br)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348205 | 87827 | 0 | None | -81 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(Br)cc1 | 10.1021/jm400348g | ||
| 56599232 | 87829 | 0 | None | -81 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm400348g | ||
| CHEMBL2348207 | 87829 | 0 | None | -81 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm400348g | ||
| 1155 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| 3343 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| 557 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| CHEMBL32800 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| DB01288 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00188a019 | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 66653395 | 87832 | 0 | None | -109 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(O)c1 | 10.1021/jm400348g | ||
| CHEMBL2348210 | 87832 | 0 | None | -109 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(O)c1 | 10.1021/jm400348g | ||
| 70517 | 116539 | 110 | None | - | 1 | Human | 3.9 | pKd | = | 3.9 | Binding | ChEMBL | 163 | 1 | 1 | 3 | 0.5 | c1cc(N2CCNCC2)ccn1 | 10.1021/ml400312j | ||
| CHEMBL339069 | 116539 | 110 | None | - | 1 | Human | 3.9 | pKd | = | 3.9 | Binding | ChEMBL | 163 | 1 | 1 | 3 | 0.5 | c1cc(N2CCNCC2)ccn1 | 10.1021/ml400312j | ||
| 123686 | 1950 | 44 | None | -109 | 9 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 12581 | 1950 | 44 | None | -109 | 9 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| CHEMBL11268 | 1950 | 44 | None | -109 | 9 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 12878481 | 59674 | 0 | None | -169 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | OC(CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| CHEMBL173424 | 59674 | 0 | None | -169 | 2 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | OC(CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| 2685 | 877 | 15 | None | -1096 | 7 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/acsmedchemlett.6b00363 | ||
| 541 | 877 | 15 | None | -1096 | 7 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL280822 | 877 | 15 | None | -1096 | 7 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/acsmedchemlett.6b00363 | ||
| 71662410 | 87828 | 0 | None | -12 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1C(F)(F)F | 10.1021/jm400348g | ||
| CHEMBL2348206 | 87828 | 0 | None | -12 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1C(F)(F)F | 10.1021/jm400348g | ||
| 16415941 | 158518 | 12 | None | 2 | 2 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 4.7 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 | 10.1021/acsmedchemlett.6b00363 | ||
| 16415942 | 158518 | 12 | None | 2 | 2 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 4.7 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4097144 | 158518 | 12 | None | 2 | 2 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 4.7 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 | 10.1021/acsmedchemlett.6b00363 | ||
| 21493193 | 110917 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 394 | 12 | 4 | 6 | 2.0 | CC(C)NCC(O)COc1cc2c(cc1OCC(O)CNC(C)C)CCCC2 | 10.1021/jm00214a013 | ||
| CHEMBL3272439 | 110917 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 394 | 12 | 4 | 6 | 2.0 | CC(C)NCC(O)COc1cc2c(cc1OCC(O)CNC(C)C)CCCC2 | 10.1021/jm00214a013 | ||
| 13040919 | 105587 | 0 | None | 19 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
| CHEMBL31335 | 105587 | 0 | None | 19 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 339 | 9 | 2 | 7 | 1.1 | CCOC(=O)C(C)(C)NCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
| 12582 | 937 | 40 | None | -11 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1016/j.bmcl.2013.07.052 | ||
| 2783 | 937 | 40 | None | -11 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL49080 | 937 | 40 | None | -11 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1016/j.bmcl.2013.07.052 | ||
| DB01407 | 937 | 40 | None | -11 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1016/j.bmcl.2013.07.052 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 2405 | 658 | 71 | None | -58 | 4 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 380 | 658 | 71 | None | -58 | 4 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 7129 | 658 | 71 | None | -58 | 4 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL645 | 658 | 71 | None | -58 | 4 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| DB00612 | 658 | 71 | None | -58 | 4 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 2685 | 877 | 15 | None | -1096 | 7 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 541 | 877 | 15 | None | -1096 | 7 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| CHEMBL280822 | 877 | 15 | None | -1096 | 7 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 13621706 | 8970 | 0 | None | -154 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 317 | 8 | 3 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(-c2nc(C(C)C)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| CHEMBL10988 | 8970 | 0 | None | -154 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 317 | 8 | 3 | 4 | 2.9 | CC(C)NCC(O)COc1ccc(-c2nc(C(C)C)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| 13621593 | 9200 | 0 | None | -204 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 509 | 11 | 3 | 6 | 4.1 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11092 | 9200 | 0 | None | -204 | 2 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 509 | 11 | 3 | 6 | 4.1 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | ||
| 1786 | 2484 | 79 | None | -25 | 11 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 4171 | 2484 | 79 | None | -25 | 11 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 553 | 2484 | 79 | None | -25 | 11 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL13 | 2484 | 79 | None | -25 | 11 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| DB00264 | 2484 | 79 | None | -25 | 11 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 3322591 | 112283 | 2 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 390 | 12 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cc2ccccc2cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272440 | 112283 | 2 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 390 | 12 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cc2ccccc2cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3305652 | 112283 | 2 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 390 | 12 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cc2ccccc2cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 3486 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | ||
| 4883 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | ||
| 555 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | ||
| CHEMBL6995 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | ||
| DB01297 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00354a003 | ||
| 3527871 | 112276 | 1 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1cccc(OCC(O)CNC(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272435 | 112276 | 1 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1cccc(OCC(O)CNC(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3305474 | 112276 | 1 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1cccc(OCC(O)CNC(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 56599099 | 87836 | 0 | None | -91 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348214 | 87836 | 0 | None | -91 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1 | 10.1021/jm400348g | ||
| 13040907 | 106595 | 0 | None | -19 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 371 | 12 | 2 | 5 | 2.8 | COC(=O)CCc1ccc(OCC(O)CNCCCc2ccccc2)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL31583 | 106595 | 0 | None | -19 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 371 | 12 | 2 | 5 | 2.8 | COC(=O)CCc1ccc(OCC(O)CNCCCc2ccccc2)cc1 | 10.1021/jm00354a003 | ||
| 15112598 | 9231 | 0 | None | -10 | 3 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| CHEMBL111090 | 9231 | 0 | None | -10 | 3 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 444 | 9 | 3 | 7 | 3.3 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(OC(C)C2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| 123133223 | 147159 | 0 | None | - | 1 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | ||
| CHEMBL3931891 | 147159 | 0 | None | - | 1 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | ||
| 5487795 | 92844 | 2 | None | 79 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 284 | 5 | 2 | 4 | 3.0 | CC1C/C(=N/OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | ||
| CHEMBL24500 | 92844 | 2 | None | 79 | 2 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 284 | 5 | 2 | 4 | 3.0 | CC1C/C(=N/OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | ||
| 4930 | 56871 | 45 | None | - | 1 | Bovine | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 229 | 4 | 2 | 2 | 2.9 | CC(C)NCC(O)c1ccc2ccccc2c1 | 10.1021/jm00147a037 | ||
| CHEMBL16476 | 56871 | 45 | None | - | 1 | Bovine | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 229 | 4 | 2 | 2 | 2.9 | CC(C)NCC(O)c1ccc2ccccc2c1 | 10.1021/jm00147a037 | ||
| 1786 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | ||
| 4171 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | ||
| 553 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | ||
| CHEMBL13 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | ||
| DB00264 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00361a004 | ||
| 1786 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | ||
| 4171 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | ||
| 553 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | ||
| CHEMBL13 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | ||
| DB00264 | 2484 | 79 | None | -1 | 11 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00156a028 | ||
| 13621597 | 6376 | 0 | None | - | 1 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 441 | 12 | 3 | 7 | 3.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2OC)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL10825 | 6376 | 0 | None | - | 1 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 441 | 12 | 3 | 7 | 3.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2OC)cc1OC | 10.1021/jm00156a028 | ||
| 2775690 | 92579 | 47 | None | 15 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
| CHEMBL2441619 | 92579 | 47 | None | 15 | 6 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
| 170739 | 10106 | 3 | None | - | 1 | Bovine | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 265 | 8 | 2 | 3 | 2.9 | CCC(C)c1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00147a037 | ||
| CHEMBL1159889 | 10106 | 3 | None | - | 1 | Bovine | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 265 | 8 | 2 | 3 | 2.9 | CCC(C)c1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00147a037 | ||
| 1499 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| 3779 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| 536 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL434 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| DB01064 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| 155774 | 4033 | 33 | None | -5 | 3 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 2848 | 4033 | 33 | None | -5 | 3 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 538 | 4033 | 33 | None | -5 | 3 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| CHEMBL75753 | 4033 | 33 | None | -5 | 3 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| DB13781 | 4033 | 33 | None | -5 | 3 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 56599233 | 87830 | 0 | None | -87 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348208 | 87830 | 0 | None | -87 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 4.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm400348g | ||
| 29057685 | 158287 | 12 | None | 1 | 2 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.1 | COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | ||
| 8056725 | 158287 | 12 | None | 1 | 2 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.1 | COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4094678 | 158287 | 12 | None | 1 | 2 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.1 | COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | ||
| 13621620 | 8900 | 0 | None | -1174 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 425 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL10983 | 8900 | 0 | None | -1174 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 425 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 16736096 | 141564 | 0 | None | 19 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL388177 | 141564 | 0 | None | 19 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 16424333 | 156009 | 10 | None | - | 1 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 6.1 | CCCCN(C)Cc1c(O)cc(C)c2c1O/C(=C\c1cc3cc(Br)ccc3o1)C2=O | 10.1021/acsmedchemlett.6b00363 | ||
| 16424334 | 156009 | 10 | None | - | 1 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 6.1 | CCCCN(C)Cc1c(O)cc(C)c2c1O/C(=C\c1cc3cc(Br)ccc3o1)C2=O | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4068256 | 156009 | 10 | None | - | 1 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 6.1 | CCCCN(C)Cc1c(O)cc(C)c2c1O/C(=C\c1cc3cc(Br)ccc3o1)C2=O | 10.1021/acsmedchemlett.6b00363 | ||
| 13621656 | 9202 | 0 | None | -1348 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 3.2 | CCOCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | ||
| CHEMBL11093 | 9202 | 0 | None | -1348 | 2 | Guinea pig | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 3.2 | CCOCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | ||
| 57543937 | 92577 | 0 | None | - | 1 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 309 | 1 | 0 | 3 | 3.3 | Cc1ccc2nc(C(F)(F)F)cc(N3CCN(C)CC3)c2c1 | 10.1021/ml400312j | ||
| CHEMBL2441616 | 92577 | 0 | None | - | 1 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 309 | 1 | 0 | 3 | 3.3 | Cc1ccc2nc(C(F)(F)F)cc(N3CCN(C)CC3)c2c1 | 10.1021/ml400312j | ||
| 23276420 | 110916 | 4 | None | - | 1 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 340 | 12 | 4 | 6 | 1.2 | CC(C)NCC(O)COc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272434 | 110916 | 4 | None | - | 1 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 340 | 12 | 4 | 6 | 1.2 | CC(C)NCC(O)COc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 123133224 | 160165 | 0 | None | 9 | 2 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL4113713 | 160165 | 0 | None | 9 | 2 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 2687 | 876 | 15 | None | 1 | 5 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 532 | 876 | 15 | None | 1 | 5 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 5387 | 876 | 15 | None | 1 | 5 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL420746 | 876 | 15 | None | 1 | 5 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 9576814 | 59110 | 4 | None | -2 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| CHEMBL171059 | 59110 | 4 | None | -2 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| 10016379 | 10093 | 0 | None | - | 1 | Bovine | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 277 | 3 | 3 | 3 | 3.1 | CC(C)(C)NCC(O)c1cc(Cl)c(O)c(Cl)c1 | 10.1021/jm00147a037 | ||
| CHEMBL1159711 | 10093 | 0 | None | - | 1 | Bovine | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 277 | 3 | 3 | 3 | 3.1 | CC(C)(C)NCC(O)c1cc(Cl)c(O)c(Cl)c1 | 10.1021/jm00147a037 | ||
| 16736091 | 85305 | 0 | None | 66 | 2 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| CHEMBL228996 | 85305 | 0 | None | 66 | 2 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| 62773144 | 109951 | 3 | None | -1 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1ccc(Br)cc1 | 10.1021/jm00208a015 | ||
| CHEMBL3246227 | 109951 | 3 | None | -1 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 257 | 4 | 2 | 2 | 2.5 | CC(C)NCC(O)c1ccc(Br)cc1 | 10.1021/jm00208a015 | ||
| 15578608 | 107013 | 2 | None | -5 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 295 | 10 | 2 | 5 | 1.7 | CCOC(=O)CCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| CHEMBL31857 | 107013 | 2 | None | -5 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 295 | 10 | 2 | 5 | 1.7 | CCOC(=O)CCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| 15578596 | 110935 | 2 | None | 1 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1cccc(OC)c1 | 10.1021/jm00354a002 | ||
| CHEMBL32736 | 110935 | 2 | None | 1 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 297 | 10 | 2 | 6 | 1.0 | CCOC(=O)CCNCC(O)COc1cccc(OC)c1 | 10.1021/jm00354a002 | ||
| 15578590 | 161502 | 2 | None | -5 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1cccc(Cl)c1 | 10.1021/jm00354a002 | ||
| CHEMBL416030 | 161502 | 2 | None | -5 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1cccc(Cl)c1 | 10.1021/jm00354a002 | ||
| 13621761 | 9278 | 0 | None | -10 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 385 | 8 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| CHEMBL11135 | 9278 | 0 | None | -10 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 385 | 8 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| 13040890 | 103935 | 0 | None | -3 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL31036 | 103935 | 0 | None | -3 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| 59373811 | 109954 | 5 | None | -2 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1cccc(C(O)CNC(C)C)c1 | 10.1021/jm00208a015 | ||
| CHEMBL3246233 | 109954 | 5 | None | -2 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1cccc(C(O)CNC(C)C)c1 | 10.1021/jm00208a015 | ||
| 15578604 | 106620 | 1 | None | 1 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 253 | 7 | 2 | 5 | 0.5 | COC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| CHEMBL31598 | 106620 | 1 | None | 1 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 253 | 7 | 2 | 5 | 0.5 | COC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| 13621599 | 9804 | 0 | None | -3981 | 2 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 513 | 12 | 3 | 7 | 5.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11431 | 9804 | 0 | None | -3981 | 2 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 513 | 12 | 3 | 7 | 5.0 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC | 10.1021/jm00156a028 | ||
| 10467512 | 99426 | 0 | None | 2 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00376a011 | ||
| CHEMBL285972 | 99426 | 0 | None | 2 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00376a011 | ||
| 10467512 | 99426 | 0 | None | 2 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | ||
| CHEMBL285972 | 99426 | 0 | None | 2 | 2 | Guinea pig | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NCC(O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | ||
| 12484297 | 109229 | 0 | None | 15 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | ||
| CHEMBL3228931 | 109229 | 0 | None | 15 | 2 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1cccc2[nH]cnc12 | 10.1021/jm00188a019 | ||
| 54757229 | 65184 | 0 | None | 16 | 3 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830617 | 65184 | 0 | None | 16 | 3 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 3682 | 188847 | 7 | None | -1 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL1256784 | 188847 | 7 | None | -1 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL513389 | 188847 | 7 | None | -1 | 8 | Guinea pig | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.bmcl.2014.12.077 | ||
| 1239 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.07.052 | ||
| 3410 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.07.052 | ||
| 3465 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL1256786 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.07.052 | ||
| DB00983 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2013.07.052 | ||
| 54756929 | 65158 | 0 | None | 28 | 3 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830488 | 65158 | 0 | None | 28 | 3 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54757129 | 65163 | 0 | None | 23 | 3 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830493 | 65163 | 0 | None | 23 | 3 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 10087493 | 10092 | 0 | None | - | 1 | Bovine | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 224 | 3 | 4 | 4 | 1.4 | CC(C)(C)NCC(O)c1ccc(O)c(N)c1 | 10.1021/jm00147a037 | ||
| CHEMBL1159710 | 10092 | 0 | None | - | 1 | Bovine | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 224 | 3 | 4 | 4 | 1.4 | CC(C)(C)NCC(O)c1ccc(O)c(N)c1 | 10.1021/jm00147a037 | ||
| 66653268 | 87823 | 0 | None | -426 | 3 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| CHEMBL2348201 | 87823 | 0 | None | -426 | 3 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| 3486 | 3108 | 51 | None | -6 | 11 | Bovine | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00147a037 | ||
| 4883 | 3108 | 51 | None | -6 | 11 | Bovine | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00147a037 | ||
| 555 | 3108 | 51 | None | -6 | 11 | Bovine | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00147a037 | ||
| CHEMBL6995 | 3108 | 51 | None | -6 | 11 | Bovine | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00147a037 | ||
| DB01297 | 3108 | 51 | None | -6 | 11 | Bovine | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00147a037 | ||
| 16736514 | 143010 | 0 | None | 2 | 2 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | nan | ||
| CHEMBL389902 | 143010 | 0 | None | 2 | 2 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | nan | ||
| 13621758 | 9691 | 0 | None | -3 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 317 | 7 | 3 | 4 | 2.4 | Cc1c[nH]c(Cc2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00156a028 | ||
| CHEMBL11362 | 9691 | 0 | None | -3 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 317 | 7 | 3 | 4 | 2.4 | Cc1c[nH]c(Cc2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00156a028 | ||
| 13621772 | 9173 | 0 | None | -301 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 441 | 14 | 3 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(COCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11080 | 9173 | 0 | None | -301 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 441 | 14 | 3 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(COCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 38065 | 10105 | 8 | None | - | 1 | Bovine | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 234 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)COc1ccccc1C#N | 10.1021/jm00147a037 | ||
| CHEMBL1159888 | 10105 | 8 | None | - | 1 | Bovine | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 234 | 6 | 2 | 4 | 1.3 | CC(C)NCC(O)COc1ccccc1C#N | 10.1021/jm00147a037 | ||
| 13590033 | 9744 | 0 | None | -19 | 2 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 398 | 11 | 2 | 7 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(-c3ncco3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11401 | 9744 | 0 | None | -19 | 2 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 398 | 11 | 2 | 7 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(-c3ncco3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 10378069 | 10108 | 2 | None | - | 1 | Bovine | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 263 | 8 | 2 | 4 | 1.4 | C#CCOc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00147a037 | ||
| CHEMBL1159890 | 10108 | 2 | None | - | 1 | Bovine | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 263 | 8 | 2 | 4 | 1.4 | C#CCOc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00147a037 | ||
| 21490498 | 112282 | 0 | None | - | 1 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1ccc(OCC(O)CNC(C)C)c(OCC(O)CNC(C)C)c1 | 10.1021/jm00214a013 | ||
| CHEMBL3272437 | 112282 | 0 | None | - | 1 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1ccc(OCC(O)CNC(C)C)c(OCC(O)CNC(C)C)c1 | 10.1021/jm00214a013 | ||
| CHEMBL3305647 | 112282 | 0 | None | - | 1 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1ccc(OCC(O)CNC(C)C)c(OCC(O)CNC(C)C)c1 | 10.1021/jm00214a013 | ||
| 13621676 | 9127 | 0 | None | -1122 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 475 | 11 | 3 | 6 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11051 | 9127 | 0 | None | -1122 | 2 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 475 | 11 | 3 | 6 | 3.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 29074692 | 159192 | 13 | None | 2 | 2 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 339 | 4 | 1 | 5 | 3.4 | COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | ||
| 8073977 | 159192 | 13 | None | 2 | 2 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 339 | 4 | 1 | 5 | 3.4 | COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4104850 | 159192 | 13 | None | 2 | 2 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 339 | 4 | 1 | 5 | 3.4 | COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | ||
| 12606706 | 92801 | 0 | None | 13 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| CHEMBL24480 | 92801 | 0 | None | 13 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| CHEMBL555848 | 92801 | 0 | None | 13 | 2 | Guinea pig | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 202 | 5 | 2 | 4 | 1.1 | CC(C)=NOCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| 44459891 | 95717 | 0 | None | 7 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 1.8 | CC(C)(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| CHEMBL26059 | 95717 | 0 | None | 7 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 217 | 5 | 2 | 3 | 1.8 | CC(C)(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 702235 | 52931 | 93 | None | -51 | 4 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 200 | 1 | 2 | 1 | 2.6 | c1ccc2c(C3CCNCC3)c[nH]c2c1 | 10.1021/ml400312j | ||
| CHEMBL15988 | 52931 | 93 | None | -51 | 4 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 200 | 1 | 2 | 1 | 2.6 | c1ccc2c(C3CCNCC3)c[nH]c2c1 | 10.1021/ml400312j | ||
| CHEMBL2011564 | 52931 | 93 | None | -51 | 4 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 200 | 1 | 2 | 1 | 2.6 | c1ccc2c(C3CCNCC3)c[nH]c2c1 | 10.1021/ml400312j | ||
| 44459922 | 96365 | 0 | None | -4 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 230 | 6 | 2 | 4 | 1.8 | C/C(=N/OCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00376a011 | ||
| CHEMBL26506 | 96365 | 0 | None | -4 | 2 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 230 | 6 | 2 | 4 | 1.8 | C/C(=N/OCC(O)CNC(C)(C)C)C(C)C | 10.1021/jm00376a011 | ||
| 4191179 | 112277 | 1 | None | - | 1 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1ccc(C(C)C)cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272438 | 112277 | 1 | None | - | 1 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1ccc(C(C)C)cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3305475 | 112277 | 1 | None | - | 1 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1ccc(C(C)C)cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 16735494 | 141520 | 0 | None | 3 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL387825 | 141520 | 0 | None | 3 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 20986823 | 156314 | 7 | None | 4 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 243 | 5 | 0 | 3 | 2.6 | CN(C)CCOc1ccc2ccccc2c1C=O | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4071616 | 156314 | 7 | None | 4 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 243 | 5 | 0 | 3 | 2.6 | CN(C)CCOc1ccc2ccccc2c1C=O | 10.1021/acsmedchemlett.6b00363 | ||
| 13621770 | 9259 | 0 | None | -7 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 367 | 8 | 3 | 4 | 2.5 | CC(C)NCC(O)COc1ccc(Cc2nc(Br)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| CHEMBL11125 | 9259 | 0 | None | -7 | 2 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 367 | 8 | 3 | 4 | 2.5 | CC(C)NCC(O)COc1ccc(Cc2nc(Br)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| 16735495 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229401 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00199a012 | ||
| 105 | 3405 | 84 | None | -5 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| 2083 | 3405 | 84 | None | -5 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| 558 | 3405 | 84 | None | -5 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL714 | 3405 | 84 | None | -5 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| DB01001 | 3405 | 84 | None | -5 | 6 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1016/j.bmcl.2014.12.077 | ||
| 13157406 | 9339 | 0 | None | -144 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| CHEMBL11171 | 9339 | 0 | None | -144 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 357 | 8 | 3 | 5 | 3.5 | CC(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| 1499 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| 3779 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| 536 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL434 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| DB01064 | 2060 | 43 | None | -9 | 17 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2014.12.077 | ||
| 13040915 | 102459 | 0 | None | -50 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
| CHEMBL30622 | 102459 | 0 | None | -50 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 325 | 10 | 2 | 7 | 0.8 | CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC | 10.1021/jm00354a003 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.07.052 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.07.052 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.07.052 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2013.07.052 | ||
| 15578588 | 103650 | 2 | None | -6 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccccc1Cl | 10.1021/jm00354a002 | ||
| CHEMBL30942 | 103650 | 2 | None | -6 | 2 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccccc1Cl | 10.1021/jm00354a002 | ||
| 2598 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 5403 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 560 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL1760 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| DB00871 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 12462226 | 112142 | 1 | None | 1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1ccc(C)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL3246235 | 112142 | 1 | None | 1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1ccc(C)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL3302805 | 112142 | 1 | None | 1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1ccc(C)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| 2598 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| 5403 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| 560 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL1760 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| DB00871 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| 15578555 | 105867 | 3 | None | -1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 253 | 8 | 2 | 5 | 0.6 | CCOC(=O)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| CHEMBL31392 | 105867 | 3 | None | -1 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 253 | 8 | 2 | 5 | 0.6 | CCOC(=O)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| 15569837 | 106063 | 2 | None | -6 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccc(Cl)cc1 | 10.1021/jm00354a002 | ||
| CHEMBL31411 | 106063 | 2 | None | -6 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 301 | 9 | 2 | 5 | 1.6 | CCOC(=O)CCNCC(O)COc1ccc(Cl)cc1 | 10.1021/jm00354a002 | ||
| 13157402 | 167783 | 0 | None | -398 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | OC(CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| CHEMBL434360 | 167783 | 0 | None | -398 | 2 | Guinea pig | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | OC(CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| 29057664 | 157580 | 13 | None | 1 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 309 | 3 | 1 | 4 | 3.4 | Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2 | 10.1021/acsmedchemlett.6b00363 | ||
| 8035384 | 157580 | 13 | None | 1 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 309 | 3 | 1 | 4 | 3.4 | Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4086982 | 157580 | 13 | None | 1 | 2 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 309 | 3 | 1 | 4 | 3.4 | Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2 | 10.1021/acsmedchemlett.6b00363 | ||
| 16737369 | 142536 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL389519 | 142536 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 4606363 | 112228 | 3 | None | - | 1 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cccc(C(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272436 | 112228 | 3 | None | - | 1 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cccc(C(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3304621 | 112228 | 3 | None | - | 1 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cccc(C(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 13621712 | 75596 | 0 | None | -1288 | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL2052006 | 75596 | 0 | None | -1288 | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 453 | 11 | 3 | 6 | 4.0 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)(C)C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 2249 | 509 | 106 | None | -33 | 11 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 255 | 509 | 106 | None | -33 | 11 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 548 | 509 | 106 | None | -33 | 11 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL24 | 509 | 106 | None | -33 | 11 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| DB00335 | 509 | 106 | None | -33 | 11 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 2297435 | 55317 | 6 | None | 10 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 253 | 7 | 1 | 2 | 3.5 | C=CCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL1621144 | 55317 | 6 | None | 10 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 253 | 7 | 1 | 2 | 3.5 | C=CCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| 56598967 | 87833 | 0 | None | -275 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| CHEMBL2348211 | 87833 | 0 | None | -275 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| 13157410 | 127814 | 0 | None | -446 | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 287 | 7 | 3 | 4 | 1.9 | Cc1c[nH]c(-c2ccc(OCC(O)CNC3CC3)cc2)n1 | 10.1021/jm00361a004 | ||
| CHEMBL366573 | 127814 | 0 | None | -446 | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 287 | 7 | 3 | 4 | 1.9 | Cc1c[nH]c(-c2ccc(OCC(O)CNC3CC3)cc2)n1 | 10.1021/jm00361a004 | ||
| 688469 | 142395 | 2 | None | - | 1 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL389390 | 142395 | 2 | None | - | 1 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 118725500 | 116602 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 323 | 5 | 3 | 4 | 1.6 | CC(C)C[B-]1(O)OCc2cc([C@@H](O)C[NH2+]C(C)(C)C)ccc2O1 | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL3393402 | 116602 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 323 | 5 | 3 | 4 | 1.6 | CC(C)C[B-]1(O)OCc2cc([C@@H](O)C[NH2+]C(C)(C)C)ccc2O1 | 10.1016/j.bmcl.2014.12.077 | ||
| 56599101 | 87820 | 0 | None | -42 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(F)c1 | 10.1021/jm400348g | ||
| CHEMBL2348198 | 87820 | 0 | None | -42 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 475 | 14 | 4 | 6 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(F)c1 | 10.1021/jm400348g | ||
| 56599229 | 87822 | 0 | None | -37 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Cl | 10.1021/jm400348g | ||
| CHEMBL2348200 | 87822 | 0 | None | -37 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Cl | 10.1021/jm400348g | ||
| 16736092 | 85356 | 0 | None | 1 | 2 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229390 | 85356 | 0 | None | 1 | 2 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 123133227 | 143616 | 0 | None | - | 1 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL3903905 | 143616 | 0 | None | - | 1 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 13621595 | 7513 | 0 | None | -575 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2Br)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL10879 | 7513 | 0 | None | -575 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2Br)cc1OC | 10.1021/jm00156a028 | ||
| 16737411 | 142669 | 0 | None | 8 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL389629 | 142669 | 0 | None | 8 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 13157374 | 77612 | 0 | None | -1412 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| CHEMBL2096751 | 77612 | 0 | None | -1412 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00361a004 | ||
| 12398053 | 110046 | 0 | None | - | 1 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 2.6 | CC1(C)NC1C(O)c1ccc2ccccc2c1 | 10.1021/jm00199a012 | ||
| CHEMBL3251300 | 110046 | 0 | None | - | 1 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 227 | 2 | 2 | 2 | 2.6 | CC1(C)NC1C(O)c1ccc2ccccc2c1 | 10.1021/jm00199a012 | ||
| 54757126 | 65162 | 0 | None | 57 | 3 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830492 | 65162 | 0 | None | 57 | 3 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00376a011 | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm00145a008 | ||
| 21296271 | 96487 | 3 | None | 1 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 241 | 7 | 2 | 3 | 1.9 | CC(C)(C)NCC(O)COC(C1CC1)C1CC1 | 10.1021/jm00376a011 | ||
| CHEMBL26607 | 96487 | 3 | None | 1 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 241 | 7 | 2 | 3 | 1.9 | CC(C)(C)NCC(O)COC(C1CC1)C1CC1 | 10.1021/jm00376a011 | ||
| 123133226 | 160359 | 0 | None | - | 1 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL4115254 | 160359 | 0 | None | - | 1 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 192962 | 109953 | 12 | None | -2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1ccc(C(O)CNC(C)C)cc1 | 10.1021/jm00208a015 | ||
| CHEMBL3246231 | 109953 | 12 | None | -2 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 193 | 4 | 2 | 2 | 2.0 | Cc1ccc(C(O)CNC(C)C)cc1 | 10.1021/jm00208a015 | ||
| 15578594 | 106580 | 2 | None | -1 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1cccc(C)c1 | 10.1021/jm00354a002 | ||
| CHEMBL31568 | 106580 | 2 | None | -1 | 2 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1cccc(C)c1 | 10.1021/jm00354a002 | ||
| 10443654 | 108694 | 1 | None | - | 1 | Bovine | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 225 | 5 | 4 | 4 | 0.9 | CC(C)NCC(O)c1ccc(O)c(CO)c1 | 10.1021/jm00147a037 | ||
| CHEMBL321468 | 108694 | 1 | None | - | 1 | Bovine | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 225 | 5 | 4 | 4 | 0.9 | CC(C)NCC(O)c1ccc(O)c(CO)c1 | 10.1021/jm00147a037 | ||
| 12238214 | 25267 | 8 | None | -19 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL13504 | 25267 | 8 | None | -19 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 267 | 7 | 2 | 5 | 1.2 | COC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| 13040894 | 99567 | 0 | None | -12 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | COC(=O)CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL286894 | 99567 | 0 | None | -12 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | COC(=O)CCCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| 13621752 | 96904 | 0 | None | -144 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 425 | 12 | 3 | 6 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL269467 | 96904 | 0 | None | -144 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 425 | 12 | 3 | 6 | 2.9 | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(C)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 13621642 | 6128 | 0 | None | -2754 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 453 | 12 | 3 | 7 | 3.2 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)=O)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL10813 | 6128 | 0 | None | -2754 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 453 | 12 | 3 | 7 | 3.2 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)=O)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 16735774 | 147027 | 0 | None | - | 1 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL3930835 | 147027 | 0 | None | - | 1 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 12606684 | 95628 | 3 | None | 15 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| CHEMBL1161388 | 95628 | 3 | None | 15 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| CHEMBL26003 | 95628 | 3 | None | 15 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 203 | 6 | 2 | 3 | 1.4 | CC(C)COCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| 23276420 | 110916 | 4 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 340 | 12 | 4 | 6 | 1.2 | CC(C)NCC(O)COc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272434 | 110916 | 4 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 340 | 12 | 4 | 6 | 1.2 | CC(C)NCC(O)COc1ccccc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 12521601 | 128124 | 0 | None | -20 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 371 | 7 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| CHEMBL366769 | 128124 | 0 | None | -20 | 2 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 371 | 7 | 3 | 5 | 3.9 | CC(C)(C)NCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| 1499 | 2060 | 43 | None | -8 | 17 | Bovine | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00147a037 | ||
| 3779 | 2060 | 43 | None | -8 | 17 | Bovine | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00147a037 | ||
| 536 | 2060 | 43 | None | -8 | 17 | Bovine | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00147a037 | ||
| CHEMBL434 | 2060 | 43 | None | -8 | 17 | Bovine | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00147a037 | ||
| DB01064 | 2060 | 43 | None | -8 | 17 | Bovine | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00147a037 | ||
| 2405 | 658 | 71 | None | -58 | 4 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 380 | 658 | 71 | None | -58 | 4 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 7129 | 658 | 71 | None | -58 | 4 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL645 | 658 | 71 | None | -58 | 4 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| DB00612 | 658 | 71 | None | -58 | 4 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1021/acs.jmedchem.6b00358 | ||
| 4191179 | 112277 | 1 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1ccc(C(C)C)cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272438 | 112277 | 1 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1ccc(C(C)C)cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3305475 | 112277 | 1 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1ccc(C(C)C)cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 3527871 | 112276 | 1 | None | - | 1 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1cccc(OCC(O)CNC(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272435 | 112276 | 1 | None | - | 1 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1cccc(OCC(O)CNC(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3305474 | 112276 | 1 | None | - | 1 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1cccc(OCC(O)CNC(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 13621721 | 161578 | 0 | None | -2630 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 420 | 10 | 3 | 6 | 3.8 | OC(CNCCc1ccncc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| CHEMBL416151 | 161578 | 0 | None | -2630 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 420 | 10 | 3 | 6 | 3.8 | OC(CNCCc1ccncc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| 16735272 | 85385 | 0 | None | 46 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229614 | 85385 | 0 | None | 46 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 13621686 | 9754 | 0 | None | -575 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 469 | 13 | 3 | 8 | 2.8 | CCOC(=O)c1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | ||
| CHEMBL11406 | 9754 | 0 | None | -575 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 469 | 13 | 3 | 8 | 2.8 | CCOC(=O)c1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | ||
| 13621774 | 98028 | 0 | None | -208 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 427 | 13 | 3 | 7 | 2.6 | COc1ccc(CCNCC(O)COc2ccc(OCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL275934 | 98028 | 0 | None | -208 | 2 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 427 | 13 | 3 | 7 | 2.6 | COc1ccc(CCNCC(O)COc2ccc(OCc3ncc[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 13157371 | 59726 | 0 | None | -3235 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| CHEMBL173629 | 59726 | 0 | None | -3235 | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 397 | 11 | 3 | 6 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3ncc[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| 688468 | 141800 | 7 | None | 190 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL388570 | 141800 | 7 | None | 190 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 1534386 | 92582 | 39 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | c1ccc2c(N3CCNCC3)ccnc2c1 | 10.1021/ml400312j | ||
| CHEMBL2441621 | 92582 | 39 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 213 | 1 | 1 | 3 | 1.6 | c1ccc2c(N3CCNCC3)ccnc2c1 | 10.1021/ml400312j | ||
| 2799984 | 92581 | 75 | None | - | 1 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.8 | Clc1cncc(Cl)c1N1CCNCC1 | 10.1021/ml400312j | ||
| CHEMBL2441620 | 92581 | 75 | None | - | 1 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 231 | 1 | 1 | 3 | 1.8 | Clc1cncc(Cl)c1N1CCNCC1 | 10.1021/ml400312j | ||
| 3322591 | 112283 | 2 | None | - | 1 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 390 | 12 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cc2ccccc2cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272440 | 112283 | 2 | None | - | 1 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 390 | 12 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cc2ccccc2cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3305652 | 112283 | 2 | None | - | 1 | Guinea pig | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 390 | 12 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cc2ccccc2cc1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 56597179 | 87841 | 0 | None | -501 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348219 | 87841 | 0 | None | -501 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 12582 | 937 | 40 | None | -2 | 5 | Bovine | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm00147a037 | ||
| 2783 | 937 | 40 | None | -2 | 5 | Bovine | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm00147a037 | ||
| CHEMBL49080 | 937 | 40 | None | -2 | 5 | Bovine | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm00147a037 | ||
| DB01407 | 937 | 40 | None | -2 | 5 | Bovine | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm00147a037 | ||
| 13157382 | 61931 | 0 | None | -3981 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 507 | 12 | 3 | 7 | 5.2 | COc1ccc(CC(C)(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| CHEMBL177860 | 61931 | 0 | None | -3981 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 507 | 12 | 3 | 7 | 5.2 | COc1ccc(CC(C)(C)NCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| 688467 | 85371 | 2 | None | 14 | 2 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229476 | 85371 | 2 | None | 14 | 2 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 12484287 | 109228 | 0 | None | 2 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | ||
| CHEMBL3228930 | 109228 | 0 | None | 2 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 249 | 6 | 3 | 4 | 1.3 | CC(C)NCC(O)COc1ccc2[nH]cnc2c1 | 10.1021/jm00188a019 | ||
| 2184756 | 55606 | 3 | None | 12 | 2 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 285 | 8 | 0 | 3 | 3.3 | CN(C)CCOCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL1623548 | 55606 | 3 | None | 12 | 2 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 285 | 8 | 0 | 3 | 3.3 | CN(C)CCOCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| 13621602 | 9736 | 0 | None | -1096 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2C)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11396 | 9736 | 0 | None | -1096 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 493 | 12 | 3 | 7 | 4.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2C)cc1OC | 10.1021/jm00156a028 | ||
| 13621653 | 75594 | 0 | None | -2238 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OC[C@@H](O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | ||
| CHEMBL2052004 | 75594 | 0 | None | -2238 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 441 | 13 | 3 | 7 | 2.8 | COCc1c[nH]c(-c2ccc(OC[C@@H](O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | ||
| 678605 | 155913 | 3 | None | - | 1 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 267 | 3 | 1 | 2 | 3.8 | C[n+]1c(/C=C/Nc2ccccc2)sc2ccccc21 | 10.1021/acsmedchemlett.6b00363 | ||
| 678606 | 155913 | 3 | None | - | 1 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 267 | 3 | 1 | 2 | 3.8 | C[n+]1c(/C=C/Nc2ccccc2)sc2ccccc21 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4067230 | 155913 | 3 | None | - | 1 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 267 | 3 | 1 | 2 | 3.8 | C[n+]1c(/C=C/Nc2ccccc2)sc2ccccc21 | 10.1021/acsmedchemlett.6b00363 | ||
| 2775690 | 92579 | 47 | None | 15 | 6 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
| CHEMBL2441619 | 92579 | 47 | None | 15 | 6 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 295 | 1 | 1 | 3 | 3.0 | Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 | 10.1021/ml400312j | ||
| 13040883 | 98718 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 297 | 8 | 3 | 6 | 0.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)CO | 10.1021/jm00354a003 | ||
| CHEMBL281298 | 98718 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 297 | 8 | 3 | 6 | 0.6 | COC(=O)c1ccccc1OCC(O)CNC(C)(C)CO | 10.1021/jm00354a003 | ||
| 15578592 | 99041 | 2 | None | -1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| CHEMBL283289 | 99041 | 2 | None | -1 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 281 | 9 | 2 | 5 | 1.3 | CCOC(=O)CCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| 235055 | 106939 | 8 | None | -3 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.7 | CC(C)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| CHEMBL31811 | 106939 | 8 | None | -3 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 223 | 7 | 2 | 3 | 1.7 | CC(C)CNCC(O)COc1ccccc1 | 10.1021/jm00354a002 | ||
| 15578610 | 111662 | 0 | None | -2 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 309 | 11 | 2 | 5 | 2.1 | CCOC(=O)CCCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| CHEMBL32902 | 111662 | 0 | None | -2 | 2 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 309 | 11 | 2 | 5 | 2.1 | CCOC(=O)CCCCNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| 12398051 | 110045 | 0 | None | 43 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 245 | 2 | 2 | 2 | 2.8 | CC1(C)NC1C(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00199a012 | ||
| CHEMBL3251299 | 110045 | 0 | None | 43 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 245 | 2 | 2 | 2 | 2.8 | CC1(C)NC1C(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00199a012 | ||
| 12462222 | 112144 | 0 | None | -39 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1cc(C)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL3246232 | 112144 | 0 | None | -39 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1cc(C)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL3302868 | 112144 | 0 | None | -39 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 223 | 5 | 2 | 3 | 2.0 | COc1cc(C)ccc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| 2598 | 3719 | 52 | None | 6 | 5 | Bovine | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1021/jm00147a037 | ||
| 5403 | 3719 | 52 | None | 6 | 5 | Bovine | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1021/jm00147a037 | ||
| 560 | 3719 | 52 | None | 6 | 5 | Bovine | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1021/jm00147a037 | ||
| CHEMBL1760 | 3719 | 52 | None | 6 | 5 | Bovine | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1021/jm00147a037 | ||
| DB00871 | 3719 | 52 | None | 6 | 5 | Bovine | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 10.1021/jm00147a037 | ||
| 1960 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 439260 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 505 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL1437 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| DB00368 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 12941056 | 101746 | 0 | None | -10 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.1 | COC(=O)Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL30292 | 101746 | 0 | None | -10 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.1 | COC(=O)Cc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| 559935 | 103320 | 7 | None | -12 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL30899 | 103320 | 7 | None | -12 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.6 | COC(=O)c1ccc(OCC(O)CNC(C)(C)C)cc1 | 10.1021/jm00354a003 | ||
| 1960 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 439260 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 505 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL1437 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| DB00368 | 2815 | 64 | None | -549 | 26 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 13621764 | 161471 | 0 | None | -1288 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 507 | 14 | 3 | 7 | 4.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL415970 | 161471 | 0 | None | -1288 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 507 | 14 | 3 | 7 | 4.5 | COc1ccc(CCNCC(O)COc2ccc(CCc3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 13621690 | 9792 | 0 | None | -1318 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 440 | 12 | 4 | 7 | 1.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(N)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11427 | 9792 | 0 | None | -1318 | 2 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 440 | 12 | 4 | 7 | 1.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(N)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 12606686 | 92427 | 3 | None | 31 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| CHEMBL1161385 | 92427 | 3 | None | 31 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| CHEMBL24391 | 92427 | 3 | None | 31 | 2 | Guinea pig | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 189 | 5 | 2 | 3 | 1.2 | CC(C)OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| 23843 | 8369 | 19 | None | - | 1 | Bovine | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 195 | 4 | 3 | 3 | 1.4 | CC(C)NCC(O)c1ccc(O)cc1 | 10.1021/jm00147a037 | ||
| CHEMBL109378 | 8369 | 19 | None | - | 1 | Bovine | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 195 | 4 | 3 | 3 | 1.4 | CC(C)NCC(O)c1ccc(O)cc1 | 10.1021/jm00147a037 | ||
| 18047 | 201924 | 18 | None | -4 | 5 | Bovine | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00147a037 | ||
| CHEMBL67096 | 201924 | 18 | None | -4 | 5 | Bovine | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00147a037 | ||
| 13621671 | 168862 | 1 | None | -234 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 496 | 13 | 3 | 8 | 2.5 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(CN4CCOCC4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL442522 | 168862 | 1 | None | -234 | 2 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 496 | 13 | 3 | 8 | 2.5 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(CN4CCOCC4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 4606363 | 112228 | 3 | None | - | 1 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cccc(C(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3272436 | 112228 | 3 | None | - | 1 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cccc(C(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| CHEMBL3304621 | 112228 | 3 | None | - | 1 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 382 | 13 | 4 | 6 | 2.3 | CC(C)NCC(O)COc1cccc(C(C)C)c1OCC(O)CNC(C)C | 10.1021/jm00214a013 | ||
| 3486 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | ||
| 4883 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | ||
| 555 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | ||
| CHEMBL6995 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | ||
| DB01297 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00361a004 | ||
| 13157407 | 59969 | 0 | None | -245 | 2 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 419 | 10 | 3 | 5 | 4.4 | OC(CNCCc1ccccc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| CHEMBL174259 | 59969 | 0 | None | -245 | 2 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 419 | 10 | 3 | 5 | 4.4 | OC(CNCCc1ccccc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| 54758320 | 65187 | 0 | None | 6 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830620 | 65187 | 0 | None | 6 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| 44459541 | 95697 | 0 | None | 1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 242 | 7 | 2 | 4 | 1.9 | C/C(CC1CC1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| CHEMBL26049 | 95697 | 0 | None | 1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 242 | 7 | 2 | 4 | 1.9 | C/C(CC1CC1)=N/OCC(O)CNC(C)(C)C | 10.1021/jm00376a011 | ||
| 6917762 | 9234 | 7 | None | 1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| CHEMBL111103 | 9234 | 7 | None | 1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| 161394 | 119468 | 13 | None | - | 1 | Bovine | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 252 | 4 | 4 | 4 | 0.9 | CC(C)(C)NCC(O)c1ccc(O)c(C(N)=O)c1 | 10.1021/jm00147a037 | ||
| CHEMBL349845 | 119468 | 13 | None | - | 1 | Bovine | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 252 | 4 | 4 | 4 | 0.9 | CC(C)(C)NCC(O)c1ccc(O)c(C(N)=O)c1 | 10.1021/jm00147a037 | ||
| 135079 | 10402 | 1 | None | -9772 | 2 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| CHEMBL11671 | 10402 | 1 | None | -9772 | 2 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| 16735257 | 85304 | 0 | None | 151 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| CHEMBL228992 | 85304 | 0 | None | 151 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| 1720 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 4086 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 7250 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL776 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| DB00816 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.ejmech.2008.12.016 | ||
| 5473526 | 157798 | 2 | None | 2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 286 | 2 | 0 | 1 | 4.6 | C[n+]1c(/C=C/c2ccccc2Cl)sc2ccccc21 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4089434 | 157798 | 2 | None | 2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 286 | 2 | 0 | 1 | 4.6 | C[n+]1c(/C=C/c2ccccc2Cl)sc2ccccc21 | 10.1021/acsmedchemlett.6b00363 | ||
| 118725500 | 116602 | 0 | None | - | 1 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 323 | 5 | 3 | 4 | 1.6 | CC(C)C[B-]1(O)OCc2cc([C@@H](O)C[NH2+]C(C)(C)C)ccc2O1 | 10.1016/j.bmcl.2014.12.077 | ||
| CHEMBL3393402 | 116602 | 0 | None | - | 1 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 323 | 5 | 3 | 4 | 1.6 | CC(C)C[B-]1(O)OCc2cc([C@@H](O)C[NH2+]C(C)(C)C)ccc2O1 | 10.1016/j.bmcl.2014.12.077 | ||
| 54757027 | 65160 | 0 | None | 24 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830490 | 65160 | 0 | None | 24 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2008.12.016 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2008.12.016 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2008.12.016 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2008.12.016 | ||
| 10060160 | 10109 | 3 | None | - | 1 | Bovine | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 239 | 7 | 3 | 4 | 0.9 | CC(C)NCC(O)COc1ccccc1CO | 10.1021/jm00147a037 | ||
| CHEMBL1159891 | 10109 | 3 | None | - | 1 | Bovine | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 239 | 7 | 3 | 4 | 0.9 | CC(C)NCC(O)COc1ccccc1CO | 10.1021/jm00147a037 | ||
| 15578563 | 99611 | 0 | None | -1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 317 | 9 | 2 | 5 | 2.1 | CCOC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| CHEMBL287242 | 99611 | 0 | None | -1 | 2 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 317 | 9 | 2 | 5 | 2.1 | CCOC(=O)CCNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| 1720 | 2912 | 35 | None | -2 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| 4086 | 2912 | 35 | None | -2 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| 7250 | 2912 | 35 | None | -2 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL776 | 2912 | 35 | None | -2 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| DB00816 | 2912 | 35 | None | -2 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| 159899 | 107069 | 28 | None | -1 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 217 | 4 | 2 | 3 | 1.5 | NCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| CHEMBL31888 | 107069 | 28 | None | -1 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 217 | 4 | 2 | 3 | 1.5 | NCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| 44459632 | 96006 | 0 | None | 2 | 2 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 230 | 7 | 3 | 4 | 1.1 | CC(NOCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | ||
| CHEMBL26224 | 96006 | 0 | None | 2 | 2 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 230 | 7 | 3 | 4 | 1.1 | CC(NOCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | ||
| 9816183 | 100081 | 5 | None | 5 | 2 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/s0960-894x(99)00205-x | ||
| CHEMBL29141 | 100081 | 5 | None | 5 | 2 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/s0960-894x(99)00205-x | ||
| 5311116 | 2303 | 6 | None | -1258 | 3 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 544 | 2303 | 6 | None | -1258 | 3 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| CHEMBL207802 | 2303 | 6 | None | -1258 | 3 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 10353067 | 10099 | 2 | None | - | 1 | Bovine | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 210 | 4 | 4 | 4 | 1.0 | CC(C)NCC(O)c1ccc(O)c(N)c1 | 10.1021/jm00147a037 | ||
| CHEMBL1159719 | 10099 | 2 | None | - | 1 | Bovine | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 210 | 4 | 4 | 4 | 1.0 | CC(C)NCC(O)c1ccc(O)c(N)c1 | 10.1021/jm00147a037 | ||
| 105 | 3405 | 84 | None | -1 | 6 | Bovine | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm00147a037 | ||
| 2083 | 3405 | 84 | None | -1 | 6 | Bovine | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm00147a037 | ||
| 558 | 3405 | 84 | None | -1 | 6 | Bovine | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm00147a037 | ||
| CHEMBL714 | 3405 | 84 | None | -1 | 6 | Bovine | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm00147a037 | ||
| DB01001 | 3405 | 84 | None | -1 | 6 | Bovine | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm00147a037 | ||
| 10105627 | 10094 | 0 | None | - | 1 | Bovine | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 238 | 4 | 4 | 4 | 1.9 | CNc1cc(C(O)CNC(C)(C)C)ccc1O | 10.1021/jm00147a037 | ||
| CHEMBL1159712 | 10094 | 0 | None | - | 1 | Bovine | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 238 | 4 | 4 | 4 | 1.9 | CNc1cc(C(O)CNC(C)(C)C)ccc1O | 10.1021/jm00147a037 | ||
| 123133222 | 159500 | 0 | None | 6 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | ||
| CHEMBL4108239 | 159500 | 0 | None | 6 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | ||
| 13621631 | 9599 | 0 | None | -169 | 2 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11307 | 9599 | 0 | None | -169 | 2 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 489 | 11 | 3 | 6 | 3.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c(C)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 13621638 | 9771 | 0 | None | -2137 | 2 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 455 | 13 | 3 | 7 | 3.1 | COCc1[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)nc1C | 10.1021/jm00156a028 | ||
| CHEMBL11414 | 9771 | 0 | None | -2137 | 2 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 455 | 13 | 3 | 7 | 3.1 | COCc1[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)nc1C | 10.1021/jm00156a028 | ||
| 71662246 | 87834 | 0 | None | -11 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348212 | 87834 | 0 | None | -11 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 | 10.1021/jm400348g | ||
| 3123920 | 2784 | 79 | None | -31622 | 6 | Bovine | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00147a037 | ||
| 546 | 2784 | 79 | None | -31622 | 6 | Bovine | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00147a037 | ||
| CHEMBL7154 | 2784 | 79 | None | -31622 | 6 | Bovine | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10.1021/jm00147a037 | ||
| 13302060 | 12726 | 0 | None | -112 | 2 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 411 | 11 | 2 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL1188509 | 12726 | 0 | None | -112 | 2 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 411 | 11 | 2 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL536552 | 12726 | 0 | None | -112 | 2 | Guinea pig | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 411 | 11 | 2 | 7 | 2.7 | COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 29072430 | 158923 | 12 | None | 6 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 365 | 4 | 1 | 5 | 3.9 | COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | ||
| 8071397 | 158923 | 12 | None | 6 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 365 | 4 | 1 | 5 | 3.9 | COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4101524 | 158923 | 12 | None | 6 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 365 | 4 | 1 | 5 | 3.9 | COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 | 10.1021/acsmedchemlett.6b00363 | ||
| 13621722 | 96872 | 5 | None | -229 | 2 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00156a028 | ||
| CHEMBL269219 | 96872 | 5 | None | -229 | 2 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 275 | 7 | 3 | 4 | 1.8 | CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00156a028 | ||
| 12521605 | 165786 | 0 | None | -9 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 303 | 6 | 3 | 4 | 2.5 | Cc1c[nH]c(-c2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00361a004 | ||
| CHEMBL427297 | 165786 | 0 | None | -9 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 303 | 6 | 3 | 4 | 2.5 | Cc1c[nH]c(-c2ccc(OCC(O)CNC(C)(C)C)cc2)n1 | 10.1021/jm00361a004 | ||
| 13621715 | 5065 | 0 | None | -436 | 2 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| CHEMBL10574 | 5065 | 0 | None | -436 | 2 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 387 | 11 | 3 | 6 | 3.2 | CCOCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| 16735276 | 145449 | 0 | None | -1 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL3918348 | 145449 | 0 | None | -1 | 2 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 13157364 | 77613 | 0 | None | -30 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| CHEMBL2096752 | 77613 | 0 | None | -30 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 341 | 7 | 3 | 4 | 2.6 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| 217246 | 10095 | 38 | None | - | 1 | Bovine | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 262 | 4 | 3 | 3 | 2.6 | CC(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 | 10.1021/jm00147a037 | ||
| CHEMBL1159713 | 10095 | 38 | None | - | 1 | Bovine | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 262 | 4 | 3 | 3 | 2.6 | CC(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 | 10.1021/jm00147a037 | ||
| 2464 | 3583 | 52 | None | 2 | 6 | Bovine | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00147a037 | ||
| 5253 | 3583 | 52 | None | 2 | 6 | Bovine | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00147a037 | ||
| 7297 | 3583 | 52 | None | 2 | 6 | Bovine | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00147a037 | ||
| CHEMBL471 | 3583 | 52 | None | 2 | 6 | Bovine | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00147a037 | ||
| DB00489 | 3583 | 52 | None | 2 | 6 | Bovine | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 10.1021/jm00147a037 | ||
| 44274623 | 96368 | 3 | None | -7 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 201 | 6 | 2 | 3 | 1.2 | CC(C)(C)NCC(O)COCC1CC1 | 10.1021/jm00376a011 | ||
| CHEMBL26507 | 96368 | 3 | None | -7 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 201 | 6 | 2 | 3 | 1.2 | CC(C)(C)NCC(O)COCC1CC1 | 10.1021/jm00376a011 | ||
| 13621626 | 9442 | 0 | None | -741 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(Cl)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11224 | 9442 | 0 | None | -741 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 445 | 11 | 3 | 6 | 3.6 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c(Cl)[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 44279657 | 103897 | 1 | None | -2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | Cc1ccccc1OCC(O)CNCC(C)C | 10.1021/jm00354a002 | ||
| CHEMBL31021 | 103897 | 1 | None | -2 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 237 | 7 | 2 | 3 | 2.0 | Cc1ccccc1OCC(O)CNCC(C)C | 10.1021/jm00354a002 | ||
| 6917762 | 9234 | 7 | None | 1 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| CHEMBL111103 | 9234 | 7 | None | 1 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| 25104 | 10097 | 19 | None | -467 | 2 | Bovine | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | CC(C)(C)NCC(O)c1ccc(O)c(O)c1 | 10.1021/jm00147a037 | ||
| CHEMBL1159715 | 10097 | 19 | None | -467 | 2 | Bovine | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 225 | 3 | 4 | 4 | 1.5 | CC(C)(C)NCC(O)c1ccc(O)c(O)c1 | 10.1021/jm00147a037 | ||
| 21490498 | 112282 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1ccc(OCC(O)CNC(C)C)c(OCC(O)CNC(C)C)c1 | 10.1021/jm00214a013 | ||
| CHEMBL3272437 | 112282 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1ccc(OCC(O)CNC(C)C)c(OCC(O)CNC(C)C)c1 | 10.1021/jm00214a013 | ||
| CHEMBL3305647 | 112282 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 354 | 12 | 4 | 6 | 1.5 | Cc1ccc(OCC(O)CNC(C)C)c(OCC(O)CNC(C)C)c1 | 10.1021/jm00214a013 | ||
| 123133225 | 144276 | 0 | None | 5 | 2 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL3909417 | 144276 | 0 | None | 5 | 2 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 328583 | 110044 | 1 | None | 676 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 177 | 2 | 2 | 2 | 1.5 | CC1(C)NC1C(O)c1ccccc1 | 10.1021/jm00199a012 | ||
| CHEMBL3251298 | 110044 | 1 | None | 676 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 177 | 2 | 2 | 2 | 1.5 | CC1(C)NC1C(O)c1ccccc1 | 10.1021/jm00199a012 | ||
| 12521588 | 60062 | 0 | None | -10 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 289 | 6 | 3 | 4 | 2.2 | CC(C)(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | ||
| CHEMBL174783 | 60062 | 0 | None | -10 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 289 | 6 | 3 | 4 | 2.2 | CC(C)(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1 | 10.1021/jm00361a004 | ||
| 13621665 | 98045 | 0 | None | -1412 | 2 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 2.9 | COCCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | ||
| CHEMBL276029 | 98045 | 0 | None | -1412 | 2 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 455 | 14 | 3 | 7 | 2.9 | COCCc1c[nH]c(-c2ccc(OCC(O)CNCCc3ccc(OC)c(OC)c3)cc2)n1 | 10.1021/jm00156a028 | ||
| 13040888 | 106385 | 0 | None | 1 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00354a003 | ||
| CHEMBL31450 | 106385 | 0 | None | 1 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 279 | 8 | 2 | 5 | 1.7 | C=COC(=O)c1cccc(OCC(O)CNC(C)C)c1 | 10.1021/jm00354a003 | ||
| 1028 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 139148732 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 479 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 5816 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL679 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| DB00668 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 5311179 | 1943 | 18 | None | 85 | 3 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 543 | 1943 | 18 | None | 85 | 3 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 5484725 | 1943 | 18 | None | 85 | 3 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL1233766 | 1943 | 18 | None | 85 | 3 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL198059 | 1943 | 18 | None | 85 | 3 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10.1021/acs.jmedchem.6b00358 | ||
| 1028 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 139148732 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 479 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 5816 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL679 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| DB00668 | 287 | 69 | None | -89 | 29 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmcl.2013.07.052 | ||
| 15578602 | 98912 | 2 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | CCOC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| CHEMBL282537 | 98912 | 2 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 267 | 8 | 2 | 5 | 0.9 | CCOC(=O)CNCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| 15578561 | 104380 | 0 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 0.7 | NC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| CHEMBL31099 | 104380 | 0 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 0.7 | NC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| 15578559 | 106648 | 0 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | CCOC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| CHEMBL31611 | 106648 | 0 | None | 1 | 2 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 303 | 8 | 2 | 5 | 1.7 | CCOC(=O)CNCC(O)COc1cccc2ccccc12 | 10.1021/jm00354a002 | ||
| 1054 | 1556 | 49 | None | -6 | 3 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | ||
| 59768 | 1556 | 49 | None | -6 | 3 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | ||
| 7178 | 1556 | 49 | None | -6 | 3 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | ||
| CHEMBL768 | 1556 | 49 | None | -6 | 3 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | ||
| DB00187 | 1556 | 49 | None | -6 | 3 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | 10.1021/jm00354a003 | ||
| 157736 | 98509 | 8 | None | -31 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | CCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL279777 | 98509 | 8 | None | -31 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 309 | 10 | 2 | 5 | 1.9 | CCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| 13040902 | 104408 | 0 | None | -1 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 323 | 11 | 2 | 5 | 2.3 | CCCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL31117 | 104408 | 0 | None | -1 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 323 | 11 | 2 | 5 | 2.3 | CCCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| 13040909 | 106688 | 0 | None | -19 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 417 | 13 | 2 | 7 | 2.4 | COC(=O)CCc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL31638 | 106688 | 0 | None | -19 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 417 | 13 | 2 | 7 | 2.4 | COC(=O)CCc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1 | 10.1021/jm00354a003 | ||
| 3486 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | ||
| 4883 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | ||
| 555 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL6995 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | ||
| DB01297 | 3108 | 51 | None | -30 | 11 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00208a015 | ||
| 13621700 | 201349 | 0 | None | -3630 | 2 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 439 | 12 | 3 | 7 | 2.9 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL63421 | 201349 | 0 | None | -3630 | 2 | Guinea pig | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 439 | 12 | 3 | 7 | 2.9 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)=O)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 328583 | 110044 | 1 | None | 676 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 177 | 2 | 2 | 2 | 1.5 | CC1(C)NC1C(O)c1ccccc1 | 10.1021/jm00199a012 | ||
| CHEMBL3251298 | 110044 | 1 | None | 676 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 177 | 2 | 2 | 2 | 1.5 | CC1(C)NC1C(O)c1ccccc1 | 10.1021/jm00199a012 | ||
| 13157386 | 62847 | 1 | None | -138 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL1788320 | 62847 | 1 | None | -138 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL1789879 | 62847 | 1 | None | -138 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 44383643 | 165082 | 1 | None | 15 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 238 | 7 | 1 | 3 | 3.0 | CC(C)(C)NCCCON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | ||
| CHEMBL424369 | 165082 | 1 | None | 15 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 238 | 7 | 1 | 3 | 3.0 | CC(C)(C)NCCCON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | ||
| 13621720 | 97850 | 0 | None | -407 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 357 | 9 | 3 | 5 | 3.5 | CCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| CHEMBL274830 | 97850 | 0 | None | -407 | 2 | Guinea pig | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 357 | 9 | 3 | 5 | 3.5 | CCCNCC(O)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00156a028 | ||
| 681 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 940 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 947 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| CHEMBL59 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| DB00988 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.ejmech.2008.12.016 | ||
| 72705086 | 92578 | 0 | None | - | 1 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 330 | 1 | 0 | 2 | 4.8 | Cc1ccc2nc(C(F)(F)F)cc(N3CCC(F)(F)CC3)c2c1 | 10.1021/ml400312j | ||
| CHEMBL2441617 | 92578 | 0 | None | - | 1 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 330 | 1 | 0 | 2 | 4.8 | Cc1ccc2nc(C(F)(F)F)cc(N3CCC(F)(F)CC3)c2c1 | 10.1021/ml400312j | ||
| 54756928 | 65157 | 0 | None | 28 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830487 | 65157 | 0 | None | 28 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 15578565 | 106518 | 0 | None | -2 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 309 | 9 | 2 | 5 | 2.1 | CCOC(=O)CC(C)(C)NCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| CHEMBL31529 | 106518 | 0 | None | -2 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 309 | 9 | 2 | 5 | 2.1 | CCOC(=O)CC(C)(C)NCC(O)COc1ccccc1C | 10.1021/jm00354a002 | ||
| 11823027 | 192016 | 33 | None | -1 | 3 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1021/acs.jmedchem.6b00358 | ||
| 4411 | 192016 | 33 | None | -1 | 3 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL521606 | 192016 | 33 | None | -1 | 3 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | 10.1021/acs.jmedchem.6b00358 | ||
| 702318 | 87110 | 67 | None | 19 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/ml400312j | ||
| CHEMBL2335165 | 87110 | 67 | None | 19 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/ml400312j | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b00358 | ||
| 13157386 | 62847 | 1 | None | -138 | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| CHEMBL1788320 | 62847 | 1 | None | -138 | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| CHEMBL1789879 | 62847 | 1 | None | -138 | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00361a004 | ||
| 135079 | 10402 | 1 | None | -9772 | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11671 | 10402 | 1 | None | -9772 | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 479 | 12 | 3 | 7 | 4.4 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 13621723 | 9859 | 0 | None | -1698 | 2 | Guinea pig | 4.1 | pKd | = | 4.1 | Binding | ChEMBL | 395 | 10 | 5 | 5 | 2.2 | O=C(NCCNCC(O)COc1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1 | 10.1021/jm00156a028 | ||
| CHEMBL11467 | 9859 | 0 | None | -1698 | 2 | Guinea pig | 4.1 | pKd | = | 4.1 | Binding | ChEMBL | 395 | 10 | 5 | 5 | 2.2 | O=C(NCCNCC(O)COc1ccc(-c2ncc[nH]2)cc1)Nc1ccccc1 | 10.1021/jm00156a028 | ||
| 738389 | 88757 | 94 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 247 | 1 | 1 | 3 | 2.3 | Clc1ccc2c(N3CCNCC3)ccnc2c1 | 10.1021/ml400312j | ||
| CHEMBL236696 | 88757 | 94 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 247 | 1 | 1 | 3 | 2.3 | Clc1ccc2c(N3CCNCC3)ccnc2c1 | 10.1021/ml400312j | ||
| 13040884 | 23578 | 0 | None | -15 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 389 | 11 | 2 | 7 | 2.1 | COC(=O)c1ccccc1OCC(O)CNCCc1ccc(OC)c(OC)c1 | 10.1021/jm00354a003 | ||
| CHEMBL13358 | 23578 | 0 | None | -15 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 389 | 11 | 2 | 7 | 2.1 | COC(=O)c1ccccc1OCC(O)CNCCc1ccc(OC)c(OC)c1 | 10.1021/jm00354a003 | ||
| 3464 | 3123 | 29 | None | 1659 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| 4916 | 3123 | 29 | None | 1659 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| CHEMBL160519 | 3123 | 29 | None | 1659 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| DB01366 | 3123 | 29 | None | 1659 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1016/j.bmcl.2013.07.052 | ||
| 13040896 | 101738 | 1 | None | -15 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 293 | 8 | 2 | 5 | 1.6 | COC(=O)/C=C/c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL30289 | 101738 | 1 | None | -15 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 293 | 8 | 2 | 5 | 1.6 | COC(=O)/C=C/c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| 12238216 | 106639 | 0 | None | -2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| CHEMBL31608 | 106639 | 0 | None | -2 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 281 | 8 | 2 | 5 | 1.6 | CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 | 10.1021/jm00354a003 | ||
| 56599230 | 87825 | 0 | None | -10 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Br | 10.1021/jm400348g | ||
| CHEMBL2348203 | 87825 | 0 | None | -10 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 535 | 14 | 4 | 6 | 3.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1Br | 10.1021/jm400348g | ||
| 16737412 | 85355 | 0 | None | 3 | 2 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229388 | 85355 | 0 | None | 3 | 2 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 14348818 | 109286 | 0 | None | -12 | 3 | Guinea pig | 4.1 | pKd | = | 4.1 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| CHEMBL323176 | 109286 | 0 | None | -12 | 3 | Guinea pig | 4.1 | pKd | = | 4.1 | Binding | ChEMBL | 415 | 7 | 4 | 7 | 2.9 | C/C(=N\OCC(O)CNC(C)(C)C)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | 10.1021/jm00115a008 | ||
| 44459582 | 93125 | 0 | None | 13 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 312 | 8 | 2 | 5 | 2.5 | CC(C)(C)NCC(O)CO/N=C(/CC(=O)C(C)(C)C)C1CC1 | 10.1021/jm00376a011 | ||
| CHEMBL24644 | 93125 | 0 | None | 13 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 312 | 8 | 2 | 5 | 2.5 | CC(C)(C)NCC(O)CO/N=C(/CC(=O)C(C)(C)C)C1CC1 | 10.1021/jm00376a011 | ||
| 12878477 | 103059 | 0 | None | -10 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 357 | 6 | 3 | 4 | 3.2 | CC(C)(C)NC[C@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| CHEMBL3085291 | 103059 | 0 | None | -10 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 357 | 6 | 3 | 4 | 3.2 | CC(C)(C)NC[C@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| 54579961 | 62732 | 1 | None | 3 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | ||
| CHEMBL1788274 | 62732 | 1 | None | 3 | 2 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 254 | 7 | 2 | 4 | 1.9 | CC(C)(C)NC[C@@H](O)CON=C(C1CC1)C1CC1 | 10.1021/jm00145a008 | ||
| 11460205 | 92576 | 9 | None | - | 1 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 281 | 1 | 1 | 3 | 2.7 | FC(F)(F)c1ccc2c(N3CCNCC3)ccnc2c1 | 10.1021/ml400312j | ||
| CHEMBL2441615 | 92576 | 9 | None | - | 1 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 281 | 1 | 1 | 3 | 2.7 | FC(F)(F)c1ccc2c(N3CCNCC3)ccnc2c1 | 10.1021/ml400312j | ||
| 44459890 | 99547 | 0 | None | -8 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 214 | 6 | 2 | 4 | 1.1 | CC(C)(C)NCC(O)CO/N=C\C1CC1 | 10.1021/jm00376a011 | ||
| CHEMBL286783 | 99547 | 0 | None | -8 | 2 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 214 | 6 | 2 | 4 | 1.1 | CC(C)(C)NCC(O)CO/N=C\C1CC1 | 10.1021/jm00376a011 | ||
| 738389 | 88757 | 94 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 247 | 1 | 1 | 3 | 2.3 | Clc1ccc2c(N3CCNCC3)ccnc2c1 | 10.1021/ml400312j | ||
| CHEMBL236696 | 88757 | 94 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 247 | 1 | 1 | 3 | 2.3 | Clc1ccc2c(N3CCNCC3)ccnc2c1 | 10.1021/ml400312j | ||
| 123686 | 1950 | 44 | None | -891 | 9 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm00156a028 | ||
| 12581 | 1950 | 44 | None | -891 | 9 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm00156a028 | ||
| CHEMBL11268 | 1950 | 44 | None | -891 | 9 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm00156a028 | ||
| 2777813 | 67133 | 58 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 281 | 1 | 1 | 3 | 2.7 | FC(F)(F)c1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/ml400312j | ||
| CHEMBL1892158 | 67133 | 58 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 281 | 1 | 1 | 3 | 2.7 | FC(F)(F)c1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/ml400312j | ||
| 13621796 | 9357 | 0 | None | -1659 | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 480 | 12 | 3 | 8 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cn2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL11178 | 9357 | 0 | None | -1659 | 2 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 480 | 12 | 3 | 8 | 3.8 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cn2)cc1OC | 10.1021/jm00156a028 | ||
| 56599098 | 87835 | 0 | None | -95 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | ||
| CHEMBL2348213 | 87835 | 0 | None | -95 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 471 | 14 | 4 | 6 | 3.5 | Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | ||
| 13157405 | 77611 | 0 | None | -141 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| CHEMBL2096750 | 77611 | 0 | None | -141 | 2 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 355 | 8 | 3 | 5 | 3.3 | O[C@@H](CNC1CC1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 | 10.1021/jm00361a004 | ||
| 3869259 | 156911 | 3 | None | 3 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | ||
| 45052940 | 156911 | 3 | None | 3 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | ||
| 5942882 | 156911 | 3 | None | 3 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4079127 | 156911 | 3 | None | 3 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.5 | CCOC(=O)c1cc(/C=C/c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 | 10.1021/acsmedchemlett.6b00363 | ||
| 71662247 | 87838 | 0 | None | -51 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | ||
| CHEMBL2348216 | 87838 | 0 | None | -51 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 487 | 15 | 4 | 7 | 3.2 | COc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 | 10.1021/jm400348g | ||
| 44383465 | 120243 | 1 | None | 2 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| CHEMBL355100 | 120243 | 1 | None | 2 | 2 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 228 | 6 | 2 | 4 | 1.5 | C/C(=N\OC[C@@H](O)CNC(C)(C)C)C1CC1 | 10.1021/jm00145a008 | ||
| 19136 | 110896 | 22 | None | - | 1 | Bovine | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 195 | 4 | 3 | 3 | 1.4 | CC(C)NCC(O)c1cccc(O)c1 | 10.1021/jm00147a037 | ||
| CHEMBL327122 | 110896 | 22 | None | - | 1 | Bovine | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 195 | 4 | 3 | 3 | 1.4 | CC(C)NCC(O)c1cccc(O)c1 | 10.1021/jm00147a037 | ||
| 13621680 | 161573 | 0 | None | -446 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 431 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Cl)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| CHEMBL416150 | 161573 | 0 | None | -446 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 431 | 11 | 3 | 6 | 3.3 | COc1ccc(CCNCC(O)COc2ccc(-c3nc(Cl)c[nH]3)cc2)cc1OC | 10.1021/jm00156a028 | ||
| 1720 | 2912 | 35 | None | 2 | 2 | Bovine | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| 4086 | 2912 | 35 | None | 2 | 2 | Bovine | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| 7250 | 2912 | 35 | None | 2 | 2 | Bovine | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| CHEMBL776 | 2912 | 35 | None | 2 | 2 | Bovine | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| DB00816 | 2912 | 35 | None | 2 | 2 | Bovine | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 10.1021/jm00147a037 | ||
| 702318 | 87110 | 67 | None | 19 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/ml400312j | ||
| CHEMBL2335165 | 87110 | 67 | None | 19 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 227 | 1 | 1 | 3 | 2.0 | Cc1cc(N2CCNCC2)c2ccccc2n1 | 10.1021/ml400312j | ||
| 12462220 | 112117 | 2 | None | 1 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1ccc(Br)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL3246230 | 112117 | 2 | None | 1 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1ccc(Br)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| CHEMBL3302368 | 112117 | 2 | None | 1 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 287 | 5 | 2 | 3 | 2.5 | COc1ccc(Br)cc1C(O)CNC(C)C | 10.1021/jm00208a015 | ||
| 16735274 | 159488 | 0 | None | 1 | 2 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL4108123 | 159488 | 0 | None | 1 | 2 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 2892936 | 95474 | 5 | None | 15 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 271 | 5 | 2 | 3 | 3.0 | CC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | ||
| CHEMBL25929 | 95474 | 5 | None | 15 | 2 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 271 | 5 | 2 | 3 | 3.0 | CC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1 | 10.1021/jm00376a011 | ||
| 44274622 | 99331 | 0 | None | 3 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.6 | CC(OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | ||
| CHEMBL285309 | 99331 | 0 | None | 3 | 2 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 215 | 6 | 2 | 3 | 1.6 | CC(OCC(O)CNC(C)(C)C)C1CC1 | 10.1021/jm00376a011 | ||
| 9849699 | 72917 | 9 | None | 1 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| CHEMBL2012520 | 72917 | 9 | None | 1 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| CHEMBL2012521 | 72917 | 9 | None | 1 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| CHEMBL2012522 | 72917 | 9 | None | 1 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| 164620727 | 185504 | 0 | None | 7 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 821 | 16 | 6 | 9 | 6.8 | O=C(N[C@@H](c1ccccc1)c1ccc(-c2cccc(OCc3ccc(C(=O)NCCCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)c2)cc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4871517 | 185504 | 0 | None | 7 | 2 | Human | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 821 | 16 | 6 | 9 | 6.8 | O=C(N[C@@H](c1ccccc1)c1ccc(-c2cccc(OCc3ccc(C(=O)NCCCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)c2)cc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 71113309 | 184999 | 0 | None | 19 | 2 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 654 | 15 | 5 | 8 | 5.4 | O=C(NC(c1ccccc1)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4863525 | 184999 | 0 | None | 19 | 2 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 654 | 15 | 5 | 8 | 5.4 | O=C(NC(c1ccccc1)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 168280960 | 190254 | 0 | None | 6 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5184455 | 190254 | 0 | None | 6 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 164627621 | 185744 | 0 | None | 15 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 640 | 14 | 5 | 8 | 5.0 | O=C(NC(c1ccccc1)c1cccc(OCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4874819 | 185744 | 0 | None | 15 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 640 | 14 | 5 | 8 | 5.0 | O=C(NC(c1ccccc1)c1cccc(OCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 90213810 | 190669 | 0 | None | 2 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 750 | 16 | 5 | 11 | 5.6 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)o2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5190387 | 190669 | 0 | None | 2 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 750 | 16 | 5 | 11 | 5.6 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)o2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 168287036 | 190910 | 0 | None | 3 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2cccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5193853 | 190910 | 0 | None | 3 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2cccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 168290830 | 191358 | 0 | None | 7 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 790 | 17 | 5 | 11 | 6.0 | COc1cc(C(=O)OCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1COc1cccc([C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5200887 | 191358 | 0 | None | 7 | 2 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 790 | 17 | 5 | 11 | 6.0 | COc1cc(C(=O)OCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1COc1cccc([C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 | 10.1021/acs.jmedchem.2c00609 | ||
| 487 | 781 | 65 | None | 4 | 6 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | ||
| 569 | 781 | 65 | None | 4 | 6 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | ||
| 71739 | 781 | 65 | None | 4 | 6 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL324665 | 781 | 65 | None | 4 | 6 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1021/acs.jmedchem.9b00349 | ||
| 185395 | 139316 | 37 | None | 6 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3799125 | 139316 | 37 | None | 6 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| 185395 | 139316 | 37 | None | 6 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3799125 | 139316 | 37 | None | 6 | 3 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1016/j.bmc.2016.04.028 | ||
| 164617537 | 184630 | 0 | None | 100 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 654 | 15 | 5 | 8 | 5.4 | O=C(N[C@H](c1ccccc1)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4857743 | 184630 | 0 | None | 100 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 654 | 15 | 5 | 8 | 5.4 | O=C(N[C@H](c1ccccc1)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 71093373 | 191826 | 0 | None | 7 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(NC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5208201 | 191826 | 0 | None | 7 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(NC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 164621790 | 185210 | 0 | None | 5 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 849 | 17 | 5 | 9 | 7.6 | CCN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)c1ccc(COc2cccc(-c3ccc([C@@H](NC(=O)O[C@H]4CN5CCC4CC5)c4ccccc4)cc3)c2)cc1 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4866806 | 185210 | 0 | None | 5 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 849 | 17 | 5 | 9 | 7.6 | CCN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)c1ccc(COc2cccc(-c3ccc([C@@H](NC(=O)O[C@H]4CN5CCC4CC5)c4ccccc4)cc3)c2)cc1 | 10.1016/j.bmcl.2021.127975 | ||
| 168279881 | 190268 | 0 | None | 15 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5184598 | 190268 | 0 | None | 15 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 760 | 16 | 5 | 10 | 6.0 | O=C(N[C@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 168296356 | 191887 | 0 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 751 | 16 | 5 | 12 | 5.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2nc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)co2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5208957 | 191887 | 0 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 751 | 16 | 5 | 12 | 5.0 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2nc(C(=O)OCCCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)co2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 155525244 | 170428 | 0 | None | 15 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4456301 | 170428 | 0 | None | 15 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| 164616287 | 184413 | 0 | None | 3 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 668 | 16 | 5 | 8 | 5.8 | O=C(NC(c1ccccc1)c1cccc(OCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4854418 | 184413 | 0 | None | 3 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 668 | 16 | 5 | 8 | 5.8 | O=C(NC(c1ccccc1)c1cccc(OCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 164622948 | 185522 | 0 | None | 1 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 911 | 18 | 5 | 9 | 8.7 | O=C(N[C@@H](c1ccccc1)c1ccc(-c2cccc(OCc3ccc(C(=O)N(CCCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)Cc4ccccc4)cc3)c2)cc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4871702 | 185522 | 0 | None | 1 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 911 | 18 | 5 | 9 | 8.7 | O=C(N[C@@H](c1ccccc1)c1ccc(-c2cccc(OCc3ccc(C(=O)N(CCCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)Cc4ccccc4)cc3)c2)cc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 46889812 | 6378 | 0 | None | 10 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 4.4 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1082501 | 6378 | 0 | None | 10 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 4.4 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 6603756 | 122389 | 3 | None | 2 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 279 | 5 | 4 | 5 | 1.4 | CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(O)nc12 | 10.1021/jm000544b | ||
| CHEMBL36060 | 122389 | 3 | None | 2 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 279 | 5 | 4 | 5 | 1.4 | CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(O)nc12 | 10.1021/jm000544b | ||
| 487 | 781 | 65 | None | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1016/j.bmcl.2008.09.046 | ||
| 569 | 781 | 65 | None | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1016/j.bmcl.2008.09.046 | ||
| 71739 | 781 | 65 | None | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1016/j.bmcl.2008.09.046 | ||
| CHEMBL324665 | 781 | 65 | None | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 10.1016/j.bmcl.2008.09.046 | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm2006782 | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm2006782 | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm2006782 | ||
| 23968266 | 188817 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 313 | 5 | 2 | 4 | 3.7 | CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12 | 10.1016/j.bmcl.2008.09.046 | ||
| CHEMBL513104 | 188817 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 313 | 5 | 2 | 4 | 3.7 | CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12 | 10.1016/j.bmcl.2008.09.046 | ||
| 164627100 | 185977 | 0 | None | 25 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 739 | 13 | 6 | 9 | 5.8 | COc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4878138 | 185977 | 0 | None | 25 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 739 | 13 | 6 | 9 | 5.8 | COc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 10.1016/j.bmcl.2021.127975 | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1016/j.ejmech.2013.01.044 | ||
| 155548437 | 173199 | 0 | None | 3 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4537221 | 173199 | 0 | None | 3 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| 2585 | 790 | 100 | None | 1 | 22 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 522 | 790 | 100 | None | 1 | 22 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 551 | 790 | 100 | None | 1 | 22 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| CHEMBL723 | 790 | 100 | None | 1 | 22 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| DB01136 | 790 | 100 | None | 1 | 22 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2016.04.028 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2016.04.028 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2016.04.028 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2016.04.028 | ||
| 71113213 | 183867 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 696 | 18 | 5 | 8 | 6.6 | O=C(NC(c1ccccc1)c1cccc(OCCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4846536 | 183867 | 0 | None | 1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 696 | 18 | 5 | 8 | 6.6 | O=C(NC(c1ccccc1)c1cccc(OCCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 164617389 | 184288 | 0 | None | -1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 682 | 17 | 5 | 8 | 6.2 | O=C(NC(c1ccccc1)c1cccc(OCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4852629 | 184288 | 0 | None | -1 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 682 | 17 | 5 | 8 | 6.2 | O=C(NC(c1ccccc1)c1cccc(OCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 46889811 | 6377 | 0 | None | 16 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 444 | 8 | 2 | 4 | 5.0 | COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1082500 | 6377 | 0 | None | 16 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 444 | 8 | 2 | 4 | 5.0 | COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | ||
| 46889852 | 6454 | 0 | None | 79 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.7 | O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1082827 | 6454 | 0 | None | 79 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.7 | O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 46889853 | 6455 | 0 | None | 64 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.7 | COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1082828 | 6455 | 0 | None | 64 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.7 | COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | ||
| 33624 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| 4061 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| 565 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| CHEMBL499 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| DB00373 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | ||
| 33624 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 4061 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 565 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL499 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| DB00373 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/acs.jmedchem.9b00349 | ||
| 127045853 | 139263 | 0 | None | 20 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3798748 | 139263 | 0 | None | 20 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 164615119 | 184390 | 0 | None | -1 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 688 | 13 | 5 | 8 | 5.6 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4854091 | 184390 | 0 | None | -1 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 688 | 13 | 5 | 8 | 5.6 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 71113107 | 185998 | 0 | None | 39 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 696 | 18 | 5 | 8 | 6.6 | O=C(NC(c1ccccc1)c1ccc(OCCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4878395 | 185998 | 0 | None | 39 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 696 | 18 | 5 | 8 | 6.6 | O=C(NC(c1ccccc1)c1ccc(OCCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 164615119 | 184390 | 0 | None | -1 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 688 | 13 | 5 | 8 | 5.6 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL4854091 | 184390 | 0 | None | -1 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 688 | 13 | 5 | 8 | 5.6 | O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1)O[C@H]1CN2CCC1CC2 | 10.1021/acs.jmedchem.2c00609 | ||
| 46889854 | 7227 | 0 | None | 104 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1086077 | 7227 | 0 | None | 104 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 49864442 | 15474 | 0 | None | 27 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 373 | 8 | 4 | 6 | 2.4 | CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221804 | 15474 | 0 | None | 27 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 373 | 8 | 4 | 6 | 2.4 | CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 | 10.1016/j.bmcl.2010.06.136 | ||
| 3858663 | 176294 | 9 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 455 | 8 | 2 | 4 | 4.6 | Cc1c[nH]c2cccc(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 | 10.1021/jm200371q | ||
| CHEMBL461463 | 176294 | 9 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 455 | 8 | 2 | 4 | 4.6 | Cc1c[nH]c2cccc(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 | 10.1021/jm200371q | ||
| 10051943 | 16149 | 0 | None | 588 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 507 | 2 | 3 | 3 | 3.7 | Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2 | 10.1021/jm960208o | ||
| CHEMBL122757 | 16149 | 0 | None | 588 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 507 | 2 | 3 | 3 | 3.7 | Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2 | 10.1021/jm960208o | ||
| 3858663 | 176294 | 9 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 455 | 8 | 2 | 4 | 4.6 | Cc1c[nH]c2cccc(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 | 10.1016/j.bmcl.2008.09.046 | ||
| CHEMBL461463 | 176294 | 9 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 455 | 8 | 2 | 4 | 4.6 | Cc1c[nH]c2cccc(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 | 10.1016/j.bmcl.2008.09.046 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 2176 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 4828 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 91 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| CHEMBL500 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| DB00960 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 155559960 | 174322 | 0 | None | 10 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 586 | 22 | 6 | 7 | 3.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4564189 | 174322 | 0 | None | 10 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 586 | 22 | 6 | 7 | 3.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100068m | ||
| 2176 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | ||
| 4828 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | ||
| 91 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | ||
| CHEMBL500 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | ||
| DB00960 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1016/j.bmcl.2007.07.086 | ||
| 118710940 | 113251 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 398 | 7 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323658 | 113251 | 0 | None | 1 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 398 | 7 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 11617407 | 15448 | 0 | None | 4 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.9 | CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221590 | 15448 | 0 | None | 4 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.9 | CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| 155539613 | 172278 | 0 | None | 2 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 677 | 24 | 5 | 13 | 2.9 | CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4514723 | 172278 | 0 | None | 2 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 677 | 24 | 5 | 13 | 2.9 | CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 102262219 | 139529 | 0 | None | 12 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800400 | 139529 | 0 | None | 12 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 46889810 | 7335 | 0 | None | 28 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.0 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1086542 | 7335 | 0 | None | 28 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.0 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1039/C8MD00412A | ||
| 49864395 | 15461 | 0 | None | 1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221680 | 15461 | 0 | None | 1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm8007618 | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm8007618 | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm8007618 | ||
| 164613832 | 183956 | 0 | None | -3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 654 | 15 | 5 | 8 | 5.4 | O=C(N[C@@H](c1ccccc1)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| CHEMBL4847910 | 183956 | 0 | None | -3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 654 | 15 | 5 | 8 | 5.4 | O=C(N[C@@H](c1ccccc1)c1cccc(OCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2021.127975 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 39468 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| 431 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| 570 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| CHEMBL1201237 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| DB01210 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | nan | ||
| 11625619 | 77266 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088201 | 77266 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 118710936 | 113247 | 0 | None | 29 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323654 | 113247 | 0 | None | 29 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 49864396 | 15463 | 0 | None | 25 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221682 | 15463 | 0 | None | 25 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 44391257 | 65776 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2004.11.030 | ||
| CHEMBL183921 | 65776 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2004.11.030 | ||
| 44391257 | 65776 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm058225d | ||
| CHEMBL183921 | 65776 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm058225d | ||
| 155569481 | 175642 | 0 | None | 8 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4594173 | 175642 | 0 | None | 8 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 614 | 23 | 6 | 8 | 2.7 | CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | nan | ||
| 155544582 | 172808 | 0 | None | 5 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 528 | 21 | 4 | 6 | 5.3 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4527821 | 172808 | 0 | None | 5 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 528 | 21 | 4 | 6 | 5.3 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 49864396 | 15463 | 0 | None | 25 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1221682 | 15463 | 0 | None | 25 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 118710935 | 113246 | 0 | None | 9 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323653 | 113246 | 0 | None | 9 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 49864397 | 15464 | 0 | None | 8 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221683 | 15464 | 0 | None | 8 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 185394 | 139158 | 34 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3798017 | 139158 | 34 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| 185394 | 139158 | 34 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3798017 | 139158 | 34 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1016/j.bmc.2016.04.028 | ||
| 155528927 | 170830 | 0 | None | 3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 649 | 22 | 5 | 13 | 2.1 | CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4462252 | 170830 | 0 | None | 3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 649 | 22 | 5 | 13 | 2.1 | CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 204665 | 10140 | 9 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL1160734 | 10140 | 9 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155536373 | 171610 | 0 | None | 6 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 500 | 19 | 4 | 6 | 4.5 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4473518 | 171610 | 0 | None | 6 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 500 | 19 | 4 | 6 | 4.5 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2004.06.086 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2004.06.086 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2004.06.086 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2004.06.086 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2004.06.086 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/ml400312j | ||
| 3682 | 188847 | 7 | None | 1 | 8 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm801211c | ||
| CHEMBL1256784 | 188847 | 7 | None | 1 | 8 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm801211c | ||
| CHEMBL513389 | 188847 | 7 | None | 1 | 8 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | 10.1021/jm801211c | ||
| 49864333 | 15437 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221541 | 15437 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | ||
| 90645347 | 112021 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298987 | 112021 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 127 | 3078 | 45 | None | -2 | 15 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 688095 | 3078 | 45 | None | -2 | 15 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| CHEMBL117405 | 3078 | 45 | None | -2 | 15 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | ||
| 155529870 | 170939 | 0 | None | 30 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4463925 | 170939 | 0 | None | 30 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 516 | 17 | 3 | 8 | 4.5 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| 155515551 | 169409 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 584 | 25 | 4 | 6 | 6.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4441975 | 169409 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 584 | 25 | 4 | 6 | 6.8 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 155518547 | 169723 | 0 | None | 29 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 558 | 20 | 6 | 7 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4446394 | 169723 | 0 | None | 29 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 558 | 20 | 6 | 7 | 3.0 | CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 4080436 | 6641 | 3 | None | 10 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 1.9 | CC(C)c1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083668 | 6641 | 3 | None | 10 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 1.9 | CC(C)c1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 49864358 | 15447 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 344 | 7 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221589 | 15447 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 344 | 7 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/acs.jmedchem.9b00595 | ||
| 10239722 | 111966 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298326 | 111966 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 118710948 | 113261 | 0 | None | 5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 386 | 9 | 4 | 5 | 3.5 | CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323668 | 113261 | 0 | None | 5 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 386 | 9 | 4 | 5 | 3.5 | CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| 9917280 | 14371 | 0 | None | 39810 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 633 | 2 | 3 | 3 | 4.3 | Oc1cc2c(cc1O)C(Cc1cc(I)c(I)c(I)c1)NCC2 | 10.1021/jm960208o | ||
| CHEMBL120278 | 14371 | 0 | None | 39810 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 633 | 2 | 3 | 3 | 4.3 | Oc1cc2c(cc1O)C(Cc1cc(I)c(I)c(I)c1)NCC2 | 10.1021/jm960208o | ||
| 155510718 | 168948 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 556 | 23 | 4 | 6 | 6.1 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4434772 | 168948 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 556 | 23 | 4 | 6 | 6.1 | CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 10414389 | 16320 | 0 | None | 120 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 522 | 2 | 4 | 4 | 3.3 | Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| CHEMBL123596 | 16320 | 0 | None | 120 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 522 | 2 | 4 | 4 | 3.3 | Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| 44391257 | 65776 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2004.11.030 | ||
| CHEMBL183921 | 65776 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2004.11.030 | ||
| 11592062 | 111965 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298325 | 111965 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| 118710950 | 113263 | 0 | None | 2 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323670 | 113263 | 0 | None | 2 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 49864356 | 15445 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 330 | 6 | 4 | 5 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221587 | 15445 | 0 | None | 2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 330 | 6 | 4 | 5 | 2.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 49864379 | 15456 | 0 | None | 8 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 358 | 8 | 4 | 5 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221636 | 15456 | 0 | None | 8 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 358 | 8 | 4 | 5 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 49864335 | 15439 | 0 | None | 4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 338 | 5 | 4 | 5 | 3.1 | CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221543 | 15439 | 0 | None | 4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 338 | 5 | 4 | 5 | 3.1 | CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| 10577317 | 15337 | 0 | None | 2691 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 500 | 4 | 4 | 4 | 4.4 | O=C(Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I)c1ccccc1 | 10.1021/jm960208o | ||
| CHEMBL121704 | 15337 | 0 | None | 2691 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 500 | 4 | 4 | 4 | 4.4 | O=C(Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I)c1ccccc1 | 10.1021/jm960208o | ||
| 52941476 | 17503 | 0 | None | 6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258484 | 17503 | 0 | None | 6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52948805 | 17573 | 0 | None | 6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258704 | 17573 | 0 | None | 6 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 9858463 | 93700 | 0 | None | 19 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL249336 | 93700 | 0 | None | 19 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 10291064 | 94044 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251392 | 94044 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 10438748 | 58228 | 0 | None | -13 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 612 | 14 | 5 | 7 | 6.2 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683932 | 58228 | 0 | None | -13 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 612 | 14 | 5 | 7 | 6.2 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 90645346 | 112003 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298762 | 112003 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 11180293 | 112016 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298897 | 112016 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 155566405 | 175364 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 426 | 21 | 3 | 8 | 0.8 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCN | 10.1039/C8MD00412A | ||
| CHEMBL4587648 | 175364 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 426 | 21 | 3 | 8 | 0.8 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCN | 10.1039/C8MD00412A | ||
| 52947060 | 17401 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258144 | 17401 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 59119410 | 111773 | 0 | None | 158 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 436 | 11 | 5 | 6 | 4.3 | CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290993 | 111773 | 0 | None | 158 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 436 | 11 | 5 | 6 | 4.3 | CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 73056757 | 103797 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099657 | 103797 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 4418 | 34000 | 80 | None | -23 | 7 | Dog | 6.0 | pKi | = | 6 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/s0960-894x(00)00016-0 | ||
| CHEMBL142635 | 34000 | 80 | None | -23 | 7 | Dog | 6.0 | pKi | = | 6 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/s0960-894x(00)00016-0 | ||
| 44391270 | 63648 | 0 | None | -630 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 381 | 9 | 3 | 5 | 2.9 | O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1 | 10.1016/j.bmcl.2004.11.030 | ||
| CHEMBL180700 | 63648 | 0 | None | -630 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 381 | 9 | 3 | 5 | 2.9 | O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1 | 10.1016/j.bmcl.2004.11.030 | ||
| 2685 | 877 | 15 | None | -1096 | 7 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | ||
| 541 | 877 | 15 | None | -1096 | 7 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL280822 | 877 | 15 | None | -1096 | 7 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1016/j.bmc.2019.05.034 | ||
| 44391270 | 63648 | 0 | None | -630 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 381 | 9 | 3 | 5 | 2.9 | O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1 | 10.1021/jm058225d | ||
| CHEMBL180700 | 63648 | 0 | None | -630 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 381 | 9 | 3 | 5 | 2.9 | O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1 | 10.1021/jm058225d | ||
| 44424580 | 85387 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229616 | 85387 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 119570 | 3110 | 90 | None | -1202 | 40 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1016/j.bmc.2016.04.028 | ||
| 2233 | 3110 | 90 | None | -1202 | 40 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1016/j.bmc.2016.04.028 | ||
| 953 | 3110 | 90 | None | -1202 | 40 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL301265 | 3110 | 90 | None | -1202 | 40 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1016/j.bmc.2016.04.028 | ||
| DB00413 | 3110 | 90 | None | -1202 | 40 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1016/j.bmc.2016.04.028 | ||
| 2 | 3210 | 19 | None | -6606 | 28 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 10.1016/j.bmc.2016.04.028 | ||
| 54562 | 3210 | 19 | None | -6606 | 28 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL240773 | 3210 | 19 | None | -6606 | 28 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | 10.1016/j.bmc.2016.04.028 | ||
| 2249 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| 255 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| 548 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| CHEMBL24 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| DB00335 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | nan | ||
| 73056757 | 103797 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099657 | 103797 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 10231679 | 93879 | 0 | None | -5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 572 | 14 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL250553 | 93879 | 0 | None | -5 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 572 | 14 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | ||
| 667688 | 85372 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229477 | 85372 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 667688 | 85372 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229477 | 85372 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 667688 | 85372 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229477 | 85372 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 145965875 | 163516 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.0 | COc1ccc2c(c1)c(CCNCCCc1cccc(C(F)(F)F)c1)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4209269 | 163516 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.0 | COc1ccc2c(c1)c(CCNCCCc1cccc(C(F)(F)F)c1)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| 36811 | 1426 | 34 | None | -51 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 535 | 1426 | 34 | None | -51 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 937 | 1426 | 34 | None | -51 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| CHEMBL926 | 1426 | 34 | None | -51 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| DB00841 | 1426 | 34 | None | -51 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | ||
| 16737588 | 85389 | 0 | None | 4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | nan | ||
| CHEMBL229620 | 85389 | 0 | None | 4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | nan | ||
| 16737588 | 85389 | 0 | None | 4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | ||
| CHEMBL229620 | 85389 | 0 | None | 4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | ||
| 16737588 | 85389 | 0 | None | 4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | ||
| CHEMBL229620 | 85389 | 0 | None | 4 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | ||
| 10140996 | 154379 | 0 | None | -134 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 486 | 11 | 5 | 7 | 3.0 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL400947 | 154379 | 0 | None | -134 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 486 | 11 | 5 | 7 | 3.0 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O | 10.1016/j.bmcl.2007.05.030 | ||
| 1531 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 3869 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 7207 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| CHEMBL429 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| DB00598 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | ||
| 24936885 | 17301 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257797 | 17301 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 52949488 | 17364 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258023 | 17364 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44393971 | 65899 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 10 | 4 | 5 | 3.4 | O=CNc1cc([C@@H](O)CNCCc2ccc(OC3Cc4ccccc4C3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| CHEMBL184538 | 65899 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 10 | 4 | 5 | 3.4 | O=CNc1cc([C@@H](O)CNCCc2ccc(OC3Cc4ccccc4C3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| 9806791 | 15380 | 0 | None | 1621 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 523 | 2 | 4 | 4 | 3.4 | Oc1cc2c(cc1O)C(Cc1cc(I)c(O)c(I)c1)NCC2 | 10.1021/jm960208o | ||
| CHEMBL121964 | 15380 | 0 | None | 1621 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 523 | 2 | 4 | 4 | 3.4 | Oc1cc2c(cc1O)C(Cc1cc(I)c(O)c(I)c1)NCC2 | 10.1021/jm960208o | ||
| 155521390 | 170020 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 21 | 6 | 8 | 2.0 | CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4450606 | 170020 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 21 | 6 | 8 | 2.0 | CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 49864394 | 15460 | 0 | None | 6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 322 | 4 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221679 | 15460 | 0 | None | 6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 322 | 4 | 4 | 5 | 2.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 10512270 | 164807 | 9 | None | 5 | 2 | Dog | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| CHEMBL42370 | 164807 | 9 | None | 5 | 2 | Dog | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| 1499 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | ||
| 3779 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | ||
| 536 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | ||
| CHEMBL434 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | ||
| DB01064 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00084a006 | ||
| 3654892 | 6935 | 5 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 515 | 9 | 1 | 6 | 3.9 | Cc1ccc(C(C)C)c(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084773 | 6935 | 5 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 515 | 9 | 1 | 6 | 3.9 | Cc1ccc(C(C)C)c(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| 1499 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | ||
| 3779 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | ||
| 536 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | ||
| CHEMBL434 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | ||
| DB01064 | 2060 | 43 | None | -8 | 17 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00073a006 | ||
| 10472143 | 118772 | 0 | None | -2454 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| CHEMBL343755 | 118772 | 0 | None | -2454 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| 1028 | 287 | 69 | None | -30 | 29 | Dog | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 139148732 | 287 | 69 | None | -30 | 29 | Dog | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 479 | 287 | 69 | None | -30 | 29 | Dog | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 5816 | 287 | 69 | None | -30 | 29 | Dog | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| CHEMBL679 | 287 | 69 | None | -30 | 29 | Dog | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| DB00668 | 287 | 69 | None | -30 | 29 | Dog | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 1960 | 2815 | 64 | None | -338 | 26 | Dog | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 439260 | 2815 | 64 | None | -338 | 26 | Dog | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 505 | 2815 | 64 | None | -338 | 26 | Dog | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| CHEMBL1437 | 2815 | 64 | None | -338 | 26 | Dog | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| DB00368 | 2815 | 64 | None | -338 | 26 | Dog | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 44287337 | 150626 | 0 | None | 2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL39596 | 150626 | 0 | None | 2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 46221398 | 8616 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 448 | 10 | 4 | 4 | 4.7 | CCCCc1cc2c(cc1CCCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1095779 | 8616 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 448 | 10 | 4 | 4 | 4.7 | CCCCc1cc2c(cc1CCCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 15221055 | 202710 | 0 | None | 5 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 368 | 9 | 3 | 5 | 3.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL72060 | 202710 | 0 | None | 5 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 368 | 9 | 3 | 5 | 3.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | ||
| 10484263 | 58235 | 0 | None | -15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 639 | 16 | 6 | 6 | 6.5 | O=C(Nc1ccccc1-c1ccccc1)NC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683940 | 58235 | 0 | None | -15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 639 | 16 | 6 | 6 | 6.5 | O=C(Nc1ccccc1-c1ccccc1)NC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 73057083 | 103798 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099658 | 103798 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 73057083 | 103798 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099658 | 103798 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 10553602 | 126631 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL36568 | 126631 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 52943969 | 17613 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258825 | 17613 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 14485405 | 202492 | 0 | None | - | 1 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OCC(O)CNC(C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL70809 | 202492 | 0 | None | - | 1 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OCC(O)CNC(C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| 15054189 | 193911 | 0 | None | -91 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm00110a014 | ||
| CHEMBL55528 | 193911 | 0 | None | -91 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1021/jm00110a014 | ||
| 46221397 | 8615 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 420 | 8 | 4 | 4 | 3.9 | CCCc1cc2c(cc1CCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1095778 | 8615 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 420 | 8 | 4 | 4 | 3.9 | CCCc1cc2c(cc1CCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 118710945 | 113256 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 6 | 4 | 5 | 3.8 | CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323663 | 113256 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 6 | 4 | 5 | 3.8 | CCc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 44328703 | 10133 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1160694 | 10133 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 10173878 | 111967 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 459 | 10 | 5 | 6 | 4.2 | CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298327 | 111967 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 459 | 10 | 5 | 6 | 4.2 | CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56677231 | 63308 | 0 | None | 234 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL1800934 | 63308 | 0 | None | 234 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2013.11.030 | ||
| 56677231 | 63308 | 0 | None | 234 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL1800934 | 63308 | 0 | None | 234 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2013.11.030 | ||
| 12353620 | 202641 | 1 | None | 66 | 2 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 0 | 4 | 4 | 0.4 | N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | ||
| CHEMBL7160 | 202641 | 1 | None | 66 | 2 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 0 | 4 | 4 | 0.4 | N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | ||
| 46889643 | 6572 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083368 | 6572 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 10132882 | 94073 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251599 | 94073 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| 44444195 | 94100 | 0 | None | -10 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL251764 | 94100 | 0 | None | -10 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| 155534529 | 171397 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4470694 | 171397 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 6603820 | 95330 | 13 | None | -128 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | ||
| CHEMBL25856 | 95330 | 13 | None | -128 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | 10.1021/jm00018a002 | ||
| 53319789 | 58236 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 667 | 16 | 5 | 6 | 7.1 | O=C(Nc1ccccc1-c1ccccc1)O[C@H]1C[N+]2(CCCCCCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)CCC1CC2 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683941 | 58236 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 667 | 16 | 5 | 6 | 7.1 | O=C(Nc1ccccc1-c1ccccc1)O[C@H]1C[N+]2(CCCCCCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)CCC1CC2 | 10.1016/j.bmcl.2011.01.043 | ||
| 15221053 | 202890 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL73220 | 202890 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| 10287658 | 111763 | 0 | None | 25 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290984 | 111763 | 0 | None | 25 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 90644141 | 111775 | 0 | None | 6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 9 | 5 | 5 | 3.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290995 | 111775 | 0 | None | 6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 9 | 5 | 5 | 3.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(F)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 90644145 | 111752 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 446 | 9 | 4 | 5 | 4.1 | OCc1cc(C(O)CNCCc2ccc(N3CCC(c4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290974 | 111752 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 446 | 9 | 4 | 5 | 4.1 | OCc1cc(C(O)CNCCc2ccc(N3CCC(c4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 1155 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| 3343 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| 557 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| CHEMBL32800 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| DB01288 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 10.1021/ml400312j | ||
| 10081581 | 11095 | 0 | None | -2 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178704 | 11095 | 0 | None | -2 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL38033 | 11095 | 0 | None | -2 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CC/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| 46889642 | 6877 | 0 | None | 3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084527 | 6877 | 0 | None | 3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 53380559 | 63310 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800936 | 63310 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 145990586 | 166290 | 0 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| CHEMBL4285281 | 166290 | 0 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | ||
| 46889700 | 6997 | 0 | None | 18 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.5 | CC(C)c1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1085013 | 6997 | 0 | None | 18 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.5 | CC(C)c1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 10326800 | 58233 | 1 | None | -70 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683938 | 58233 | 1 | None | -70 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 127045854 | 139034 | 0 | None | 13 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3797205 | 139034 | 0 | None | 13 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 12 | 4 | 7 | 3.6 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 53380558 | 63317 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL1800963 | 63317 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2013.11.030 | ||
| 53380558 | 63317 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL1800963 | 63317 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2013.11.030 | ||
| 44423640 | 141523 | 0 | None | 4 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | ||
| CHEMBL387851 | 141523 | 0 | None | 4 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | ||
| 129896798 | 182085 | 32 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 366 | 7 | 2 | 3 | 4.5 | Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1 | 10.1021/acs.jmedchem.0c01450 | ||
| CHEMBL4789047 | 182085 | 32 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 366 | 7 | 2 | 3 | 4.5 | Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1 | 10.1021/acs.jmedchem.0c01450 | ||
| 155524756 | 170437 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4456505 | 170437 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| 52941603 | 17117 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257204 | 17117 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 46889701 | 6998 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 9 | 2 | 6 | 4.0 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1085014 | 6998 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 9 | 2 | 6 | 4.0 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 3486 | 3108 | 51 | None | -5 | 11 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00163a036 | ||
| 4883 | 3108 | 51 | None | -5 | 11 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00163a036 | ||
| 555 | 3108 | 51 | None | -5 | 11 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00163a036 | ||
| CHEMBL6995 | 3108 | 51 | None | -5 | 11 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00163a036 | ||
| DB01297 | 3108 | 51 | None | -5 | 11 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | 10.1021/jm00163a036 | ||
| 443372 | 10138 | 23 | None | 1 | 3 | Golden hamster | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm800613s | ||
| CHEMBL1160723 | 10138 | 23 | None | 1 | 3 | Golden hamster | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm800613s | ||
| CHEMBL2062275 | 10138 | 23 | None | 1 | 3 | Golden hamster | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm800613s | ||
| 2810 | 67260 | 50 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | ||
| CHEMBL1902627 | 67260 | 50 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | nan | ||
| 52943968 | 17612 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258824 | 17612 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 11776640 | 13435 | 0 | None | -2 | 3 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL1193824 | 13435 | 0 | None | -2 | 3 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL545293 | 13435 | 0 | None | -2 | 3 | Guinea pig | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 3 | 1 | 5 | 1.1 | CCCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| 44312269 | 202734 | 0 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 382 | 10 | 3 | 5 | 3.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL72168 | 202734 | 0 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 382 | 10 | 3 | 5 | 3.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | ||
| 44112 | 120777 | 41 | None | -1 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
| CHEMBL357995 | 120777 | 41 | None | -1 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | ||
| 24936626 | 17227 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257555 | 17227 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 52946537 | 17541 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258599 | 17541 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 5806 | 102703 | 16 | None | -2 | 3 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | ||
| CHEMBL30816 | 102703 | 16 | None | -2 | 3 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | 10.1021/jm00036a018 | ||
| 44331346 | 206648 | 0 | None | 46 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL99599 | 206648 | 0 | None | 46 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| 172745 | 99661 | 7 | None | 2 | 6 | Dog | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| CHEMBL287587 | 99661 | 7 | None | 2 | 6 | Dog | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| 10012704 | 11117 | 0 | None | -1 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178768 | 11117 | 0 | None | -1 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL39987 | 11117 | 0 | None | -1 | 2 | Bovine | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | CCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| 155564274 | 174849 | 0 | None | -19 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 643 | 19 | 4 | 11 | 3.7 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4576034 | 174849 | 0 | None | -19 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 643 | 19 | 4 | 11 | 3.7 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| 14485412 | 102461 | 0 | None | - | 1 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL306237 | 102461 | 0 | None | - | 1 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| 118710944 | 113255 | 0 | None | 2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323662 | 113255 | 0 | None | 2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| 12828570 | 5005 | 0 | None | 1 | 2 | Bovine | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | ||
| CHEMBL105434 | 5005 | 0 | None | 1 | 2 | Bovine | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | ||
| 118710943 | 113254 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323661 | 113254 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 155527302 | 170661 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 355 | 12 | 2 | 6 | 2.3 | COC(=O)CSCCCc1ccccc1OCC(O)CNC(C)C | 10.1039/C8MD00412A | ||
| CHEMBL4459696 | 170661 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 355 | 12 | 2 | 6 | 2.3 | COC(=O)CSCCCc1ccccc1OCC(O)CNC(C)C | 10.1039/C8MD00412A | ||
| 155515823 | 169456 | 0 | None | 5 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 621 | 20 | 5 | 13 | 1.7 | CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4442559 | 169456 | 0 | None | 5 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 621 | 20 | 5 | 13 | 1.7 | CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 44423645 | 84985 | 0 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | ||
| CHEMBL226349 | 84985 | 0 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | ||
| 319 | 1297 | 39 | None | -16 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| 321 | 1297 | 39 | None | -16 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| 444031 | 1297 | 39 | None | -16 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| 784 | 1297 | 39 | None | -16 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL1346 | 1297 | 39 | None | -16 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| DB00496 | 1297 | 39 | None | -16 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2012.07.096 | ||
| 44312421 | 162786 | 0 | None | 2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 392 | 13 | 3 | 6 | 2.9 | C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL419085 | 162786 | 0 | None | 2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 392 | 13 | 3 | 6 | 2.9 | C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| 2770390 | 6644 | 10 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 10 | 1 | 6 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083672 | 6644 | 10 | None | 1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 10 | 1 | 6 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 172745 | 99661 | 7 | None | -10 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | ||
| CHEMBL287587 | 99661 | 7 | None | -10 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | 10.1021/jm00076a024 | ||
| 10117815 | 93548 | 0 | None | -60 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL248548 | 93548 | 0 | None | -60 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| 49864439 | 15471 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 5 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221801 | 15471 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 5 | 4 | 5 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 104903 | 56050 | 14 | None | -5 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| CHEMBL1630578 | 56050 | 14 | None | -5 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| 44310900 | 202666 | 0 | None | - | 1 | Mouse | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL71734 | 202666 | 0 | None | - | 1 | Mouse | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| 10310047 | 111771 | 0 | None | 199 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290991 | 111771 | 0 | None | 199 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 422 | 11 | 5 | 6 | 3.9 | CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 6603724 | 154792 | 3 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| CHEMBL40317 | 154792 | 3 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| 9512 | 3579 | 35 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| 9887812 | 3579 | 35 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| CHEMBL208427 | 3579 | 35 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| DB06190 | 3579 | 35 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| 90644140 | 111774 | 0 | None | 25 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 394 | 9 | 6 | 6 | 3.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290994 | 111774 | 0 | None | 25 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 394 | 9 | 6 | 6 | 3.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(O)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 24865727 | 192511 | 0 | None | -1000 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 4.4 | Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | ||
| CHEMBL522708 | 192511 | 0 | None | -1000 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 4.4 | Cc1ccc2c(OCCN3CCC(Cc4cccc(N5CCCS5(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | ||
| 16735259 | 85221 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| CHEMBL228417 | 85221 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| 90644146 | 111753 | 0 | None | 5 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 460 | 10 | 4 | 5 | 4.2 | OCc1cc(C(O)CNCCc2ccc(N3CCC(Cc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290975 | 111753 | 0 | None | 5 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 460 | 10 | 4 | 5 | 4.2 | OCc1cc(C(O)CNCCc2ccc(N3CCC(Cc4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 123133223 | 147159 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | ||
| CHEMBL3931891 | 147159 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | ||
| 16735259 | 85221 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| CHEMBL228417 | 85221 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| 155537995 | 171769 | 0 | None | 109 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 593 | 23 | 5 | 10 | 0.2 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CS(=O)(=O)O | 10.1039/C8MD00412A | ||
| CHEMBL4475573 | 171769 | 0 | None | 109 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 593 | 23 | 5 | 10 | 0.2 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CS(=O)(=O)O | 10.1039/C8MD00412A | ||
| 44396568 | 66949 | 0 | None | -9 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL188196 | 66949 | 0 | None | -9 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 3931 | 2217 | 42 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | ||
| 9829836 | 2217 | 42 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | ||
| CHEMBL12998 | 2217 | 42 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | ||
| 9821129 | 202735 | 0 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL72169 | 202735 | 0 | None | -2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| 24937137 | 17576 | 0 | None | 3 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258707 | 17576 | 0 | None | 3 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | nan | ||
| 46889770 | 6643 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 306 | 7 | 2 | 4 | 2.2 | CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083670 | 6643 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 306 | 7 | 2 | 4 | 2.2 | CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 46889730 | 7050 | 0 | None | 42 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 436 | 8 | 1 | 5 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1085270 | 7050 | 0 | None | 42 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 436 | 8 | 1 | 5 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 44286983 | 141178 | 0 | None | 3 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL38569 | 141178 | 0 | None | 3 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 155521528 | 170037 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4450756 | 170037 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| 131268 | 112403 | 24 | None | -112 | 3 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 203 | 1 | 1 | 5 | 0.1 | c1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| CHEMBL331036 | 112403 | 24 | None | -112 | 3 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 203 | 1 | 1 | 5 | 0.1 | c1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| 44287321 | 100000 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 407 | 10 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL290752 | 100000 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 407 | 10 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 9928332 | 96732 | 4 | None | -870 | 9 | Dog | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/0960-894X(95)00398-D | ||
| CHEMBL268258 | 96732 | 4 | None | -870 | 9 | Dog | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 5.0 | COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1 | 10.1016/0960-894X(95)00398-D | ||
| 11625333 | 77265 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 392 | 4 | 4 | 4 | 3.3 | Cc1c(C)c(C)c2c(c1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088200 | 77265 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 392 | 4 | 4 | 4 | 3.3 | Cc1c(C)c(C)c2c(c1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 24936491 | 17338 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257916 | 17338 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 1786 | 2484 | 79 | None | -25 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 4171 | 2484 | 79 | None | -25 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 553 | 2484 | 79 | None | -25 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| CHEMBL13 | 2484 | 79 | None | -25 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| DB00264 | 2484 | 79 | None | -25 | 11 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 44350012 | 17840 | 0 | None | -11 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 363 | 4 | 3 | 7 | 0.4 | CC1CN=C2C(N3CCNCC3)=NC=CN21.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | ||
| CHEMBL126394 | 17840 | 0 | None | -11 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 363 | 4 | 3 | 7 | 0.4 | CC1CN=C2C(N3CCNCC3)=NC=CN21.O=C(O)C/C=C\CC(=O)O | 10.1021/jm00099a012 | ||
| 16736096 | 141564 | 0 | None | 19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL388177 | 141564 | 0 | None | 19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16736096 | 141564 | 0 | None | 19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL388177 | 141564 | 0 | None | 19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16736096 | 141564 | 0 | None | 19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL388177 | 141564 | 0 | None | 19 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 24937269 | 17465 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258371 | 17465 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 127046950 | 139515 | 0 | None | 3 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3800303 | 139515 | 0 | None | 3 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 127046950 | 139515 | 0 | None | 3 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800303 | 139515 | 0 | None | 3 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 203685 | 30541 | 8 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL1395661 | 30541 | 8 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OC[C@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 49864461 | 15476 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 12 | 4 | 6 | 2.8 | CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221862 | 15476 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 12 | 4 | 6 | 2.8 | CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| 10283146 | 106789 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL317003 | 106789 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 10455 | 3230 | 34 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| 56052 | 3230 | 34 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| CHEMBL509336 | 3230 | 34 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| DB11541 | 3230 | 34 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 10.1021/jm801211c | ||
| 155515982 | 169443 | 0 | None | -7079 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| CHEMBL4442460 | 169443 | 0 | None | -7079 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm100068m | ||
| 667688 | 85372 | 4 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL229477 | 85372 | 4 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 688467 | 85371 | 2 | None | 14 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL229476 | 85371 | 2 | None | 14 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 688467 | 85371 | 2 | None | 14 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL229476 | 85371 | 2 | None | 14 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2009.11.062 | ||
| 15711869 | 13229 | 0 | None | -3548 | 6 | Dog | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 333 | 2 | 2 | 3 | 3.5 | NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O | 10.1021/jm00114a002 | ||
| CHEMBL1192194 | 13229 | 0 | None | -3548 | 6 | Dog | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 333 | 2 | 2 | 3 | 3.5 | NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O | 10.1021/jm00114a002 | ||
| CHEMBL543390 | 13229 | 0 | None | -3548 | 6 | Dog | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 333 | 2 | 2 | 3 | 3.5 | NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O | 10.1021/jm00114a002 | ||
| 16736094 | 85357 | 0 | None | 9 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229391 | 85357 | 0 | None | 9 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16736094 | 85357 | 0 | None | 9 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229391 | 85357 | 0 | None | 9 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 123133224 | 160165 | 0 | None | 9 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL4113713 | 160165 | 0 | None | 9 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 3157 | 1442 | 69 | None | -97 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 7170 | 1442 | 69 | None | -97 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 954 | 1442 | 69 | None | -97 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| CHEMBL707 | 1442 | 69 | None | -97 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| DB00590 | 1442 | 69 | None | -97 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | ||
| 52947562 | 17505 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258486 | 17505 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 1043 | 1552 | 13 | None | -20892 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 149 | 1552 | 13 | None | -20892 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 8223 | 1552 | 13 | None | -20892 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| CHEMBL442 | 1552 | 13 | None | -20892 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| DB00696 | 1552 | 13 | None | -20892 | 28 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | ||
| 52948056 | 17337 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257915 | 17337 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 10406968 | 113258 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323665 | 113258 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| 53318455 | 58227 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 10 | 5 | 7 | 4.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683931 | 58227 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 10 | 5 | 7 | 4.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 70691181 | 77263 | 0 | None | 13 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 7 | 4 | 4 | 3.4 | CCCCc1ccc2c(c1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088199 | 77263 | 0 | None | 13 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 7 | 4 | 4 | 3.4 | CCCCc1ccc2c(c1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 49864357 | 15446 | 0 | None | 45 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 397 | 6 | 4 | 7 | 3.1 | Cc1onc(-c2ccccc2)c1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221588 | 15446 | 0 | None | 45 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 397 | 6 | 4 | 7 | 3.1 | Cc1onc(-c2ccccc2)c1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| 44391257 | 65776 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2004.11.030 | ||
| CHEMBL183921 | 65776 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2004.11.030 | ||
| 90645345 | 111987 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298692 | 111987 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943485 | 112011 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298831 | 112011 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| 15711850 | 13128 | 0 | None | -354 | 5 | Dog | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 275 | 2 | 2 | 3 | 3.2 | Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN | 10.1021/jm00114a002 | ||
| CHEMBL1191350 | 13128 | 0 | None | -354 | 5 | Dog | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 275 | 2 | 2 | 3 | 3.2 | Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN | 10.1021/jm00114a002 | ||
| CHEMBL542436 | 13128 | 0 | None | -354 | 5 | Dog | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 275 | 2 | 2 | 3 | 3.2 | Cc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CN | 10.1021/jm00114a002 | ||
| 16736091 | 85305 | 0 | None | 66 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| CHEMBL228996 | 85305 | 0 | None | 66 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| 16736091 | 85305 | 0 | None | 66 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| CHEMBL228996 | 85305 | 0 | None | 66 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| 16736091 | 85305 | 0 | None | 66 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| CHEMBL228996 | 85305 | 0 | None | 66 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| 6603724 | 154792 | 3 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| CHEMBL40317 | 154792 | 3 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| 1028 | 287 | 69 | None | -89 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 139148732 | 287 | 69 | None | -89 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 479 | 287 | 69 | None | -89 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 5816 | 287 | 69 | None | -89 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| CHEMBL679 | 287 | 69 | None | -89 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| DB00668 | 287 | 69 | None | -89 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | ||
| 10375227 | 11113 | 0 | None | -2 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178761 | 11113 | 0 | None | -2 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL39873 | 11113 | 0 | None | -2 | 2 | Bovine | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 188 | 5 | 2 | 4 | 0.8 | C/C=N/OCC(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| 10287730 | 3480 | 36 | None | -2511 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | ||
| 77 | 3480 | 36 | None | -2511 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | ||
| CHEMBL425190 | 3480 | 36 | None | -2511 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 412 | 6 | 0 | 5 | 4.3 | Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2 | 10.1021/jm049039v | ||
| 2967101 | 67323 | 5 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 263 | 6 | 2 | 3 | 2.6 | Cc1ccc(C)c(OCC(O)CNC2CCCC2)c1 | 10.1021/jm300280e | ||
| CHEMBL1907082 | 67323 | 5 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 263 | 6 | 2 | 3 | 2.6 | Cc1ccc(C)c(OCC(O)CNC2CCCC2)c1 | 10.1021/jm300280e | ||
| 118710937 | 113248 | 0 | None | 19 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323655 | 113248 | 0 | None | 19 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 9871887 | 102725 | 0 | None | 6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm990012z | ||
| CHEMBL308351 | 102725 | 0 | None | 6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm990012z | ||
| 9871887 | 102725 | 0 | None | 6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| CHEMBL308351 | 102725 | 0 | None | 6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| 46889769 | 6642 | 0 | None | 109 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 304 | 8 | 2 | 4 | 1.8 | C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083669 | 6642 | 0 | None | 109 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 304 | 8 | 2 | 4 | 1.8 | C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2011.01.043 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2013.11.030 | ||
| 11647002 | 15462 | 0 | None | 22 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1221681 | 15462 | 0 | None | 22 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 44391257 | 65776 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2004.11.030 | ||
| CHEMBL183921 | 65776 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 411 | 9 | 4 | 6 | 2.3 | CC(COc1ccc2c(c1)NC(=O)CO2)NCC(O)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2004.11.030 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 1239 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2004.06.086 | ||
| 3410 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2004.06.086 | ||
| 3465 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2004.06.086 | ||
| CHEMBL1256786 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2004.06.086 | ||
| DB00983 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2004.06.086 | ||
| 1239 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| 3410 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| 3465 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1256786 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| DB00983 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.06.014 | ||
| 1239 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| 3410 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| 3465 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1256786 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| DB00983 | 1647 | 46 | None | 63 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2010.06.136 | ||
| 9984829 | 34918 | 0 | None | 1 | 2 | Dog | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 542 | 11 | 2 | 8 | 3.5 | COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc32)CC1 | 10.1016/s0960-894x(00)00016-0 | ||
| CHEMBL143463 | 34918 | 0 | None | 1 | 2 | Dog | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 542 | 11 | 2 | 8 | 3.5 | COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc32)CC1 | 10.1016/s0960-894x(00)00016-0 | ||
| 49864380 | 15457 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221637 | 15457 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | ||
| 127047859 | 139521 | 0 | None | 1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 476 | 12 | 3 | 6 | 4.1 | COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800341 | 139521 | 0 | None | 1 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 476 | 12 | 3 | 6 | 4.1 | COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 44423643 | 141524 | 0 | None | 8 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | ||
| CHEMBL387852 | 141524 | 0 | None | 8 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | ||
| 155526570 | 170596 | 0 | None | 999 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 471 | 20 | 4 | 8 | 1.2 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCN | 10.1039/C8MD00412A | ||
| CHEMBL4458797 | 170596 | 0 | None | 999 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 471 | 20 | 4 | 8 | 1.2 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCN | 10.1039/C8MD00412A | ||
| 44396798 | 168826 | 0 | None | -18 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL442225 | 168826 | 0 | None | -18 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 24936882 | 17400 | 0 | None | 3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258143 | 17400 | 0 | None | 3 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 155561031 | 174423 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4566666 | 174423 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| 4183 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| 6918554 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| 7455 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1095777 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| DB05039 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2014.06.014 | ||
| 4183 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | ||
| 6918554 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | ||
| 7455 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1095777 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | ||
| DB05039 | 1994 | 62 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1016/j.bmcl.2010.06.136 | ||
| 44444188 | 94059 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1cccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL251554 | 94059 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1cccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | ||
| 155516656 | 169560 | 0 | None | -40 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 629 | 18 | 4 | 11 | 3.3 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4443911 | 169560 | 0 | None | -40 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 629 | 18 | 4 | 11 | 3.3 | Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCSSCCN)c(C(N)=O)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| 10083242 | 13722 | 0 | None | -5 | 3 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL1195814 | 13722 | 0 | None | -5 | 3 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL555391 | 13722 | 0 | None | -5 | 3 | Guinea pig | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 245 | 2 | 1 | 5 | 1.3 | CC(C)c1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| 73056758 | 103800 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099660 | 103800 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 12475776 | 163559 | 7 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 204 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1)c(CCN)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4209786 | 163559 | 7 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 204 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1)c(CCN)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| 16736514 | 143010 | 0 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | ||
| CHEMBL389902 | 143010 | 0 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | ||
| 16736514 | 143010 | 0 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | nan | ||
| CHEMBL389902 | 143010 | 0 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | nan | ||
| 16736514 | 143010 | 0 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | ||
| CHEMBL389902 | 143010 | 0 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 273 | 6 | 4 | 4 | 2.0 | Oc1cc(O)cc([C@H](O)CNCCc2ccccc2)c1 | 10.1021/jm070030d | ||
| 1599 | 2309 | 47 | None | -131 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | 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 | -131 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | 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 | -131 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | 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 | -131 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | 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 | -131 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 9967732 | 93730 | 0 | None | 19 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL249534 | 93730 | 0 | None | 19 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| 146025802 | 169011 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4435895 | 169011 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 10348864 | 58231 | 0 | None | -147 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 616 | 18 | 5 | 7 | 6.7 | O=CNc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683935 | 58231 | 0 | None | -147 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 616 | 18 | 5 | 7 | 6.7 | O=CNc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O | 10.1016/j.bmcl.2011.01.043 | ||
| 9894801 | 120225 | 0 | None | 4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 592 | 11 | 5 | 10 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL354906 | 120225 | 0 | None | 4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 592 | 11 | 5 | 10 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 14485416 | 164119 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL421682 | 164119 | 0 | None | - | 1 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| 46221395 | 8444 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 336 | 4 | 4 | 4 | 2.0 | O=c1ccc2c([C@@H](O)CNC3Cc4ccccc4C3)ccc(O)c2[nH]1 | 10.1021/jm100068m | ||
| CHEMBL1094323 | 8444 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 336 | 4 | 4 | 4 | 2.0 | O=c1ccc2c([C@@H](O)CNC3Cc4ccccc4C3)ccc(O)c2[nH]1 | 10.1021/jm100068m | ||
| 10431900 | 63309 | 0 | None | 10 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 413 | 16 | 4 | 4 | 5.3 | OCc1cc(C(O)CNCCCCCCCCCCCc2ccccc2)ccc1O | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800935 | 63309 | 0 | None | 10 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 413 | 16 | 4 | 4 | 5.3 | OCc1cc(C(O)CNCCCCCCCCCCCc2ccccc2)ccc1O | 10.1016/j.bmc.2009.11.062 | ||
| 1786 | 2484 | 79 | None | -25 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | ||
| 4171 | 2484 | 79 | None | -25 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | ||
| 553 | 2484 | 79 | None | -25 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL13 | 2484 | 79 | None | -25 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | ||
| DB00264 | 2484 | 79 | None | -25 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10.1016/j.bmc.2019.05.034 | ||
| 155521165 | 169990 | 0 | None | -14 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 600 | 17 | 3 | 10 | 4.4 | COc1cc(CCNC[C@H](O)COc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4450085 | 169990 | 0 | None | -14 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 600 | 17 | 3 | 10 | 4.4 | COc1cc(CCNC[C@H](O)COc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| 71612644 | 132842 | 0 | None | -2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | ||
| CHEMBL3704833 | 132842 | 0 | None | -2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 303 | 7 | 2 | 5 | 0.5 | N#CC1CCCN1C(=O)CNCC(O)COc1ccccc1 | nan | ||
| 44396659 | 67027 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL188622 | 67027 | 0 | None | -6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 24936627 | 17504 | 0 | None | 4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258485 | 17504 | 0 | None | 4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 9908924 | 141123 | 0 | None | -2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL38538 | 141123 | 0 | None | -2 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 44581972 | 175027 | 0 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL458001 | 175027 | 0 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 6 | 2 | 6 | 4.3 | O=C(Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 16735494 | 141520 | 0 | None | 3 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL387825 | 141520 | 0 | None | 3 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 25023953 | 186800 | 0 | None | - | 1 | Golden hamster | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 577 | 17 | 8 | 15 | -1.5 | O=CNc1cc(C(O)CNCCOCCOCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| CHEMBL493489 | 186800 | 0 | None | - | 1 | Golden hamster | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 577 | 17 | 8 | 15 | -1.5 | O=CNc1cc(C(O)CNCCOCCOCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| 131645 | 31937 | 7 | None | -1 | 2 | Dog | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 1.9 | CC(C)(C)NCC(O)COc1cccc2c1SCC(=O)N2 | 10.1016/s0960-894x(00)00016-0 | ||
| CHEMBL140908 | 31937 | 7 | None | -1 | 2 | Dog | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 5 | 3 | 5 | 1.9 | CC(C)(C)NCC(O)COc1cccc2c1SCC(=O)N2 | 10.1016/s0960-894x(00)00016-0 | ||
| 1239 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| 3410 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| 3465 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| CHEMBL1256786 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| DB00983 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm100068m | ||
| 127046948 | 139540 | 0 | None | 13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800468 | 139540 | 0 | None | 13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 12 | 4 | 6 | 4.1 | COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 4292932 | 169657 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 1.3 | CC(C)(C)NCC(O)COc1cccc2[nH]cc(CC(N)=O)c12 | 10.1016/j.bmcl.2008.09.046 | ||
| CHEMBL444553 | 169657 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 1.3 | CC(C)(C)NCC(O)COc1cccc2[nH]cc(CC(N)=O)c12 | 10.1016/j.bmcl.2008.09.046 | ||
| 24321330 | 6758 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 4.7 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083996 | 6758 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 4.7 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 10082076 | 13748 | 0 | None | -9 | 3 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL1195953 | 13748 | 0 | None | -9 | 3 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL555637 | 13748 | 0 | None | -9 | 3 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| 16735494 | 141520 | 0 | None | 3 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL387825 | 141520 | 0 | None | 3 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16735494 | 141520 | 0 | None | 3 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL387825 | 141520 | 0 | None | 3 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 164451 | 102702 | 11 | None | -7 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL308150 | 102702 | 11 | None | -7 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | ||
| 16735495 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229401 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 1836 | 2554 | 56 | None | -53 | 15 | Human | 5.6 | pKi | = | 5.6 | 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 | -53 | 15 | Human | 5.6 | pKi | = | 5.6 | 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 | -53 | 15 | Human | 5.6 | pKi | = | 5.6 | 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 | -53 | 15 | Human | 5.6 | pKi | = | 5.6 | 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 | -53 | 15 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
| 44581973 | 175028 | 0 | None | -1122 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| CHEMBL458002 | 175028 | 0 | None | -1122 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.6 | Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm800962k | ||
| 10207208 | 153633 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL398557 | 153633 | 0 | None | -2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| 49864332 | 15436 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 7 | 4 | 5 | 2.4 | CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221540 | 15436 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 7 | 4 | 5 | 2.4 | CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| 16735495 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229401 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 10488284 | 100714 | 6 | None | - | 1 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| CHEMBL295651 | 100714 | 6 | None | - | 1 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| 16735495 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229401 | 85359 | 0 | None | 14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 155286375 | 184799 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 3 | 4 | 4 | 2.1 | Oc1ccc2c(c1O)CC[C@@H](NCC1CC(F)(F)C1)[C@@H]2O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4860571 | 184799 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 299 | 3 | 4 | 4 | 2.1 | Oc1ccc2c(c1O)CC[C@@H](NCC1CC(F)(F)C1)[C@@H]2O | 10.1021/acs.jmedchem.0c01195 | ||
| 155314047 | 185366 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 2 | 4 | 4 | 2.0 | Oc1ccc2c(c1O)CC[C@@H](NC1CCCC1)[C@@H]2O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4869517 | 185366 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 2 | 4 | 4 | 2.0 | Oc1ccc2c(c1O)CC[C@@H](NC1CCCC1)[C@@H]2O | 10.1021/acs.jmedchem.0c01195 | ||
| 44396596 | 122784 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL361505 | 122784 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 24937014 | 17226 | 0 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257554 | 17226 | 0 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52944986 | 17431 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258257 | 17431 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
| 49864334 | 15438 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221542 | 15438 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.9 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 | 10.1016/j.bmcl.2010.06.136 | ||
| 166177238 | 191414 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 7 | 5 | 5 | 0.6 | O=c1ccc2c([C@@H](O)CNCCCCO)ccc(O)c2[nH]1 | 10.1021/acs.jmedchem.2c00609 | ||
| CHEMBL5201712 | 191414 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 292 | 7 | 5 | 5 | 0.6 | O=c1ccc2c([C@@H](O)CNCCCCO)ccc(O)c2[nH]1 | 10.1021/acs.jmedchem.2c00609 | ||
| 56943515 | 111952 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298213 | 111952 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 10082625 | 13681 | 0 | None | -1 | 3 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| CHEMBL1195526 | 13681 | 0 | None | -1 | 3 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| CHEMBL554785 | 13681 | 0 | None | -1 | 3 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 231 | 1 | 1 | 5 | 0.8 | Cc1cn2c(C)cnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| 73056756 | 103803 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099663 | 103803 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 2405 | 658 | 71 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 380 | 658 | 71 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 7129 | 658 | 71 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL645 | 658 | 71 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| DB00612 | 658 | 71 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1016/j.bmc.2019.05.034 | ||
| 73056756 | 103803 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099663 | 103803 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 145965875 | 163516 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.0 | COc1ccc2c(c1)c(CCNCCCc1cccc(C(F)(F)F)c1)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4209269 | 163516 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.0 | COc1ccc2c(c1)c(CCNCCCc1cccc(C(F)(F)F)c1)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| 59119466 | 111776 | 0 | None | 39 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 10 | 5 | 7 | 3.3 | COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290996 | 111776 | 0 | None | 39 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 10 | 5 | 7 | 3.3 | COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 16737369 | 142536 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL389519 | 142536 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 761003 | 76603 | 48 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 205 | 2 | 2 | 3 | 1.6 | Cc1nc2c(CN(C)C)c(O)ccc2[nH]1 | 10.1021/jm300280e | ||
| CHEMBL2070835 | 76603 | 48 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 205 | 2 | 2 | 3 | 1.6 | Cc1nc2c(CN(C)C)c(O)ccc2[nH]1 | 10.1021/jm300280e | ||
| 16737369 | 142536 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL389519 | 142536 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 16737369 | 142536 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL389519 | 142536 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 24936883 | 17149 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257324 | 17149 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 44444193 | 153281 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL398241 | 153281 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| 155521599 | 170167 | 0 | None | 10 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1311 | 40 | 7 | 18 | 5.9 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CCCCCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21 | 10.1039/C8MD00412A | ||
| CHEMBL4452249 | 170167 | 0 | None | 10 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1311 | 40 | 7 | 18 | 5.9 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)CCCCCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21 | 10.1039/C8MD00412A | ||
| 16736091 | 85305 | 0 | None | 66 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228996 | 85305 | 0 | None | 66 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 155511898 | 169032 | 0 | None | 12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 8 | 2 | 3 | 4.5 | COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4436343 | 169032 | 0 | None | 12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 8 | 2 | 3 | 4.5 | COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| 1239 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2016.04.028 | ||
| 3410 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2016.04.028 | ||
| 3465 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL1256786 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2016.04.028 | ||
| DB00983 | 1647 | 46 | None | 63 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2016.04.028 | ||
| 16736091 | 85305 | 0 | None | 66 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228996 | 85305 | 0 | None | 66 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 49864355 | 15444 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 374 | 5 | 4 | 5 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC34CC5CC(CC(C5)C3)C4)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221586 | 15444 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 374 | 5 | 4 | 5 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCC34CC5CC(CC(C5)C3)C4)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 44286965 | 159862 | 0 | None | 4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL41113 | 159862 | 0 | None | 4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 10420352 | 168175 | 10 | None | 6 | 4 | Dog | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| CHEMBL43711 | 168175 | 10 | None | 6 | 4 | Dog | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| 24936488 | 17467 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258373 | 17467 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 16717791 | 77262 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 6 | 3 | 3 | 3.7 | CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088198 | 77262 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 376 | 6 | 3 | 3 | 3.7 | CCc1cc2c(cc1CC)CC(NCCc1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 118710946 | 113257 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.7 | CCOc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323664 | 113257 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.7 | CCOc1cccc([C@H]2CCC[C@H]2NC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 73056757 | 103797 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099657 | 103797 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 303 | 7 | 4 | 5 | 2.0 | COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 145972154 | 164137 | 0 | None | - | 1 | Human | 3.6 | pKi | = | 3.6 | Binding | ChEMBL | 303 | 5 | 1 | 3 | 4.3 | Cc1ccccc1C(C)NCc1ccc(-c2ncccn2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4217119 | 164137 | 0 | None | - | 1 | Human | 3.6 | pKi | = | 3.6 | Binding | ChEMBL | 303 | 5 | 1 | 3 | 4.3 | Cc1ccccc1C(C)NCc1ccc(-c2ncccn2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 24937390 | 17433 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258259 | 17433 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 44444170 | 153370 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL398320 | 153370 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | ||
| 1960 | 2815 | 64 | None | -338 | 26 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 439260 | 2815 | 64 | None | -338 | 26 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 505 | 2815 | 64 | None | -338 | 26 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| CHEMBL1437 | 2815 | 64 | None | -338 | 26 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| DB00368 | 2815 | 64 | None | -338 | 26 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 10773922 | 156952 | 0 | None | 1 | 2 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| CHEMBL40796 | 156952 | 0 | None | 1 | 2 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| 688469 | 142395 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL389390 | 142395 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 688469 | 142395 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL389390 | 142395 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 688469 | 142395 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL389390 | 142395 | 2 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 12582 | 937 | 40 | None | -11 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | ||
| 2783 | 937 | 40 | None | -11 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | ||
| CHEMBL49080 | 937 | 40 | None | -11 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | ||
| DB01407 | 937 | 40 | None | -11 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | nan | ||
| 24936492 | 17367 | 0 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258026 | 17367 | 0 | None | 2 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 10465942 | 13434 | 0 | None | -1 | 3 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| CHEMBL1193821 | 13434 | 0 | None | -1 | 3 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| CHEMBL545289 | 13434 | 0 | None | -1 | 3 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cn2ccnc2c(N2CCNCC2)n1 | 10.1021/jm00099a012 | ||
| 44444187 | 94031 | 0 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL251347 | 94031 | 0 | None | -9 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | ||
| 53380558 | 63317 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800963 | 63317 | 2 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| 6603724 | 154792 | 3 | None | -1 | 3 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | ||
| CHEMBL40317 | 154792 | 3 | None | -1 | 3 | Dog | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | ||
| 145946829 | 167008 | 0 | None | -4 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 380 | 11 | 3 | 6 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4170519 | 167008 | 0 | None | -4 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 380 | 11 | 3 | 6 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4300598 | 167008 | 0 | None | -4 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 380 | 11 | 3 | 6 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| 567 | 716 | 10 | None | -4 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/j.bmc.2007.01.056 | ||
| 9841972 | 716 | 10 | None | -4 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/j.bmc.2007.01.056 | ||
| CHEMBL284782 | 716 | 10 | None | -4 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/j.bmc.2007.01.056 | ||
| 14485414 | 202611 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL71432 | 202611 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| 16736092 | 85356 | 0 | None | 1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229390 | 85356 | 0 | None | 1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16736092 | 85356 | 0 | None | 1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229390 | 85356 | 0 | None | 1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 16735259 | 85221 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228417 | 85221 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 16735259 | 85221 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228417 | 85221 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 123133227 | 143616 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL3903905 | 143616 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 16735492 | 85358 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229400 | 85358 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 13864389 | 4997 | 2 | None | -8 | 2 | Bovine | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | ||
| CHEMBL105383 | 4997 | 2 | None | -8 | 2 | Bovine | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | ||
| 16736092 | 85356 | 0 | None | 1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229390 | 85356 | 0 | None | 1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16735492 | 85358 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229400 | 85358 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 1588 | 2294 | 24 | None | -50 | 43 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 28864 | 2294 | 24 | None | -50 | 43 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 43 | 2294 | 24 | None | -50 | 43 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| CHEMBL157138 | 2294 | 24 | None | -50 | 43 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| DB00589 | 2294 | 24 | None | -50 | 43 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 1862 | 161 | 14 | None | -28 | 7 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00076a024 | ||
| 510 | 161 | 14 | None | -28 | 7 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00076a024 | ||
| CHEMBL281232 | 161 | 14 | None | -28 | 7 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm00076a024 | ||
| 73056755 | 103801 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099661 | 103801 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 73056755 | 103801 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099661 | 103801 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 56663519 | 63314 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL1800960 | 63314 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 16737411 | 142669 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL389629 | 142669 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16737411 | 142669 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL389629 | 142669 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 56663519 | 63314 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL1800960 | 63314 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 16737411 | 142669 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL389629 | 142669 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 2464 | 3583 | 52 | None | -7 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| 5253 | 3583 | 52 | None | -7 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| 7297 | 3583 | 52 | None | -7 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| CHEMBL471 | 3583 | 52 | None | -7 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| DB00489 | 3583 | 52 | None | -7 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | nan | ||
| 46889670 | 6934 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 5.2 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084772 | 6934 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 5.2 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 49864460 | 15475 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 396 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221861 | 15475 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 396 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 9892481 | 69890 | 11 | None | 3162 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1940832 | 69890 | 11 | None | 3162 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 9892481 | 69890 | 11 | None | 3162 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1940832 | 69890 | 11 | None | 3162 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| 90645344 | 111964 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298324 | 111964 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| 63952 | 8502 | 37 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 368 | 7 | 4 | 5 | 2.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm100068m | ||
| 86306667 | 8502 | 37 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 368 | 7 | 4 | 5 | 2.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm100068m | ||
| CHEMBL1094785 | 8502 | 37 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 368 | 7 | 4 | 5 | 2.5 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 10.1021/jm100068m | ||
| 14823035 | 141031 | 2 | None | 52 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL38486 | 141031 | 2 | None | 52 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.06.014 | ||
| 68807656 | 113259 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323666 | 113259 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 372 | 8 | 4 | 5 | 3.1 | CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2014.06.014 | ||
| 155552089 | 173447 | 0 | None | 10 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 571 | 21 | 4 | 9 | 2.8 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C | 10.1039/C8MD00412A | ||
| CHEMBL4542960 | 173447 | 0 | None | 10 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 571 | 21 | 4 | 9 | 2.8 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C | 10.1039/C8MD00412A | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2010.06.136 | ||
| 10456417 | 65781 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 450 | 14 | 4 | 6 | 3.7 | O=CNc1cc([C@@H](O)CNCCc2cccc(OCCCOc3ccccc3)c2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| CHEMBL183948 | 65781 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 450 | 14 | 4 | 6 | 3.7 | O=CNc1cc([C@@H](O)CNCCc2cccc(OCCCOc3ccccc3)c2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| 146025801 | 170064 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4451135 | 170064 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 376 | 8 | 3 | 4 | 4.0 | COc1ccccc1OCCNC[C@H](O)c1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| 9986442 | 58229 | 0 | None | -10 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 626 | 15 | 5 | 7 | 6.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683933 | 58229 | 0 | None | -10 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 626 | 15 | 5 | 7 | 6.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 155529446 | 170886 | 0 | None | 8 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4463246 | 170886 | 0 | None | 8 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 502 | 16 | 3 | 8 | 4.1 | COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| 155563970 | 174788 | 0 | None | 5 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 530 | 18 | 6 | 7 | 2.2 | CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4574652 | 174788 | 0 | None | 5 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 530 | 18 | 6 | 7 | 2.2 | CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 9874175 | 58230 | 1 | None | -34 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683934 | 58230 | 1 | None | -34 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 640 | 16 | 5 | 7 | 7.0 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10.1016/j.bmc.2013.11.030 | ||
| 155531982 | 171124 | 0 | None | 6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 22 | 3 | 9 | 2.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C | 10.1039/C8MD00412A | ||
| CHEMBL4466532 | 171124 | 0 | None | 6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 22 | 3 | 9 | 2.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C | 10.1039/C8MD00412A | ||
| 9860739 | 147729 | 1 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 288 | 6 | 3 | 3 | 2.8 | O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | ||
| CHEMBL393648 | 147729 | 1 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 288 | 6 | 3 | 3 | 2.8 | O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | ||
| 49864415 | 15469 | 0 | None | 117 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221735 | 15469 | 0 | None | 117 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | ||
| 118710949 | 113262 | 0 | None | 3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323669 | 113262 | 0 | None | 3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 402 | 10 | 4 | 6 | 3.3 | CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| 688468 | 141800 | 7 | None | 190 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL388570 | 141800 | 7 | None | 190 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 52949489 | 17365 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258024 | 17365 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52947443 | 17432 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258258 | 17432 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 9924779 | 94004 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 9 | 3 | 7 | 1.9 | OCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251180 | 94004 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 9 | 3 | 7 | 1.9 | OCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| 49864378 | 15455 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221635 | 15455 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 4276762 | 6876 | 11 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 530 | 8 | 1 | 6 | 4.9 | COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C(C)(C)C)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084526 | 6876 | 11 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 530 | 8 | 1 | 6 | 4.9 | COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C(C)(C)C)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| 145946991 | 167050 | 0 | None | -1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 330 | 9 | 3 | 5 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4163665 | 167050 | 0 | None | -1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 330 | 9 | 3 | 5 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4301131 | 167050 | 0 | None | -1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 330 | 9 | 3 | 5 | 1.0 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| 123133226 | 160359 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL4115254 | 160359 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 16735493 | 85366 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229443 | 85366 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16735493 | 85366 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229443 | 85366 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 1239 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3410 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3465 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1256786 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00983 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 1239 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3410 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3465 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1256786 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00983 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 56943517 | 112012 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298832 | 112012 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| 10227108 | 94068 | 0 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL251580 | 94068 | 0 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | ||
| 25023952 | 192688 | 0 | None | - | 1 | Golden hamster | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 545 | 15 | 8 | 13 | 0.0 | O=CNc1cc(C(O)CNCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| CHEMBL524037 | 192688 | 0 | None | - | 1 | Golden hamster | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 545 | 15 | 8 | 13 | 0.0 | O=CNc1cc(C(O)CNCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| 44424579 | 85386 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229615 | 85386 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16735774 | 147027 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL3930835 | 147027 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 90644153 | 111761 | 0 | None | 19 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 11 | 5 | 6 | 5.3 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290982 | 111761 | 0 | None | 19 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 11 | 5 | 6 | 5.3 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 59119467 | 111762 | 0 | None | 39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290983 | 111762 | 0 | None | 39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4ccccc4c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 59119417 | 111766 | 0 | None | 39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290987 | 111766 | 0 | None | 39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 10310564 | 111767 | 0 | None | 39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290988 | 111767 | 0 | None | 39 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 454 | 10 | 5 | 5 | 5.2 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 145946294 | 166944 | 0 | None | -3 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 8 | 3 | 5 | 0.3 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4174345 | 166944 | 0 | None | -3 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 8 | 3 | 5 | 0.3 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4299816 | 166944 | 0 | None | -3 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 302 | 8 | 3 | 5 | 0.3 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| 44424579 | 85386 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229615 | 85386 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 90644142 | 111749 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 365 | 7 | 4 | 4 | 2.5 | OCc1cc(C(O)CNCCc2ccc(Br)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290971 | 111749 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 365 | 7 | 4 | 4 | 2.5 | OCc1cc(C(O)CNCCc2ccc(Br)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 90644149 | 111756 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 447 | 9 | 4 | 6 | 3.1 | OCc1cc(C(O)CNCCc2ccc(N3CCN(c4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290978 | 111756 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 447 | 9 | 4 | 6 | 3.1 | OCc1cc(C(O)CNCCc2ccc(N3CCN(c4ccccc4)CC3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 12353629 | 202225 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 237 | 2 | 4 | 4 | 1.4 | CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL6913 | 202225 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 237 | 2 | 4 | 4 | 1.4 | CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/acs.jmedchem.0c01195 | ||
| 118710951 | 113264 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.8 | Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323671 | 113264 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 358 | 6 | 4 | 5 | 2.8 | Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C | 10.1016/j.bmcl.2014.06.014 | ||
| 56677231 | 63308 | 0 | None | 234 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800934 | 63308 | 0 | None | 234 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 3.5 | COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 | 10.1016/j.bmc.2009.11.062 | ||
| 3086576 | 176381 | 29 | None | 40 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O | 10.1021/jm801211c | ||
| CHEMBL462313 | 176381 | 29 | None | 40 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O | 10.1021/jm801211c | ||
| CHEMBL513390 | 176381 | 29 | None | 40 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O | 10.1021/jm801211c | ||
| 155536406 | 171591 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4473272 | 171591 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 524 | 20 | 3 | 9 | 3.6 | COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| 10059780 | 12850 | 0 | None | -6 | 3 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL1189347 | 12850 | 0 | None | -6 | 3 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL538537 | 12850 | 0 | None | -6 | 3 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 231 | 2 | 1 | 5 | 0.7 | CCc1cnc2c(N3CCNCC3)nccn12 | 10.1021/jm00099a012 | ||
| 4143663 | 6814 | 12 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084274 | 6814 | 12 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| 1239 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| 3410 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| 3465 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1256786 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| DB00983 | 1647 | 46 | None | 63 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2011.01.043 | ||
| 3464 | 3123 | 29 | None | 1659 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1016/j.bmc.2016.04.028 | ||
| 4916 | 3123 | 29 | None | 1659 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL160519 | 3123 | 29 | None | 1659 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1016/j.bmc.2016.04.028 | ||
| DB01366 | 3123 | 29 | None | 1659 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 2.0 | CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C | 10.1016/j.bmc.2016.04.028 | ||
| 1960 | 2815 | 64 | None | -549 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 439260 | 2815 | 64 | None | -549 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 505 | 2815 | 64 | None | -549 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL1437 | 2815 | 64 | None | -549 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| DB00368 | 2815 | 64 | None | -549 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 18525747 | 162995 | 34 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 204 | 3 | 1 | 3 | 2.5 | CNCc1ccc(-c2nccs2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4202934 | 162995 | 34 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 204 | 3 | 1 | 3 | 2.5 | CNCc1ccc(-c2nccs2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 688469 | 142395 | 2 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL389390 | 142395 | 2 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 16735272 | 85385 | 0 | None | 46 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229614 | 85385 | 0 | None | 46 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 97803 | 163963 | 87 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 1 | 1 | 2.4 | CC(N)c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4214761 | 163963 | 87 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 155 | 1 | 1 | 1 | 2.4 | CC(N)c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 16735272 | 85385 | 0 | None | 46 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229614 | 85385 | 0 | None | 46 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 10008017 | 99410 | 5 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| CHEMBL285881 | 99410 | 5 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| 16735272 | 85385 | 0 | None | 46 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229614 | 85385 | 0 | None | 46 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 73056759 | 103802 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099662 | 103802 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 46221603 | 8471 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 396 | 6 | 4 | 6 | 2.0 | COc1cc2c(cc1OC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1094486 | 8471 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 396 | 6 | 4 | 6 | 2.0 | COc1cc2c(cc1OC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 73056759 | 103802 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099662 | 103802 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 345 | 8 | 4 | 5 | 3.0 | COc1ccc(C[C@@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 688468 | 141800 | 7 | None | 190 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL388570 | 141800 | 7 | None | 190 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 688468 | 141800 | 7 | None | 190 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL388570 | 141800 | 7 | None | 190 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 44393827 | 66264 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 392 | 10 | 4 | 5 | 3.6 | O=CNc1cc([C@@H](O)CNCCc2ccc(Oc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| CHEMBL185262 | 66264 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 392 | 10 | 4 | 5 | 3.6 | O=CNc1cc([C@@H](O)CNCCc2ccc(Oc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| 73056754 | 103799 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099659 | 103799 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 73056754 | 103799 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099659 | 103799 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 10162297 | 153373 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL398322 | 153373 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | ||
| 688468 | 141800 | 7 | None | 190 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL388570 | 141800 | 7 | None | 190 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 10464801 | 11109 | 0 | None | -3 | 2 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178754 | 11109 | 0 | None | -3 | 2 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL39682 | 11109 | 0 | None | -3 | 2 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | CCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| 14925759 | 157494 | 6 | None | -12302 | 13 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 157494 | 6 | None | -12302 | 13 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 2291 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 2561 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 4932 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| CHEMBL631 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| DB01182 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | ||
| 53326837 | 58237 | 0 | None | -7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 722 | 17 | 5 | 10 | 5.3 | C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683942 | 58237 | 0 | None | -7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 722 | 17 | 5 | 10 | 5.3 | C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12 | 10.1016/j.bmcl.2011.01.043 | ||
| 1028 | 287 | 69 | None | -89 | 29 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 139148732 | 287 | 69 | None | -89 | 29 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 479 | 287 | 69 | None | -89 | 29 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 5816 | 287 | 69 | None | -89 | 29 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL679 | 287 | 69 | None | -89 | 29 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| DB00668 | 287 | 69 | None | -89 | 29 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 10602703 | 119812 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 548 | 11 | 6 | 8 | 1.9 | CC(C)[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| CHEMBL35282 | 119812 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 548 | 11 | 6 | 8 | 1.9 | CC(C)[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| 360400 | 96817 | 2 | None | 1 | 2 | Bovine | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 237 | 2 | 2 | 4 | 1.9 | CC(C)N1CCOC(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | ||
| CHEMBL268881 | 96817 | 2 | None | 1 | 2 | Bovine | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 237 | 2 | 2 | 4 | 1.9 | CC(C)N1CCOC(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | ||
| 49864413 | 15467 | 0 | None | 2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221733 | 15467 | 0 | None | 2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 12475776 | 163559 | 7 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 204 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1)c(CCN)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4209786 | 163559 | 7 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 204 | 3 | 1 | 3 | 1.7 | COc1ccc2c(c1)c(CCN)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| 18525747 | 162995 | 34 | None | - | 1 | Human | 3.4 | pKi | = | 3.4 | Binding | ChEMBL | 204 | 3 | 1 | 3 | 2.5 | CNCc1ccc(-c2nccs2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4202934 | 162995 | 34 | None | - | 1 | Human | 3.4 | pKi | = | 3.4 | Binding | ChEMBL | 204 | 3 | 1 | 3 | 2.5 | CNCc1ccc(-c2nccs2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 688467 | 85371 | 2 | None | 14 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229476 | 85371 | 2 | None | 14 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 688467 | 85371 | 2 | None | 14 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229476 | 85371 | 2 | None | 14 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 46889771 | 6916 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084706 | 6916 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 9946573 | 154215 | 0 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 9 | 2 | 6 | 3.0 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL400049 | 154215 | 0 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 9 | 2 | 6 | 3.0 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| 52946430 | 17643 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258940 | 17643 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 247704 | 288 | 26 | None | -3 | 5 | Dog | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 4450 | 288 | 26 | None | -3 | 5 | Dog | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| CHEMBL42280 | 288 | 26 | None | -3 | 5 | Dog | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 13720717 | 77498 | 0 | None | 3 | 2 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL2092996 | 77498 | 0 | None | 3 | 2 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 688467 | 85371 | 2 | None | 14 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229476 | 85371 | 2 | None | 14 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 693141 | 115684 | 37 | None | - | 1 | Human | 3.4 | pKi | = | 3.4 | Binding | ChEMBL | 177 | 2 | 1 | 2 | 2.6 | CNCc1cc2ccccc2s1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL3358195 | 115684 | 37 | None | - | 1 | Human | 3.4 | pKi | = | 3.4 | Binding | ChEMBL | 177 | 2 | 1 | 2 | 2.6 | CNCc1cc2ccccc2s1 | 10.1021/acs.jmedchem.7b01558 | ||
| 46889728 | 6639 | 0 | None | 5 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 4.7 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083666 | 6639 | 0 | None | 5 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 4.7 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | ||
| 44444179 | 93708 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL249359 | 93708 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | ||
| 155545790 | 172913 | 0 | None | 12 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 593 | 18 | 5 | 13 | 1.6 | CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(-c3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4530266 | 172913 | 0 | None | 12 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 593 | 18 | 5 | 13 | 1.6 | CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(-c3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 | 10.1021/acs.jmedchem.9b00595 | ||
| 155527582 | 170652 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 333 | 10 | 3 | 6 | 2.5 | COc1ccccc1OCCNCCCOc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4459541 | 170652 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 333 | 10 | 3 | 6 | 2.5 | COc1ccccc1OCCNCCCOc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 10774431 | 158654 | 8 | None | - | 1 | Dog | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@H](O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | ||
| CHEMBL40986 | 158654 | 8 | None | - | 1 | Dog | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNC[C@H](O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | ||
| 123600 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 123600 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9866060 | 77260 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)c(C)cc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088196 | 77260 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(NCC(O)c1ccc(O)c3[nH]c(=O)c(C)cc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 10527469 | 155724 | 1 | None | -8317 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| CHEMBL40650 | 155724 | 1 | None | -8317 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| 6603724 | 154792 | 3 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| CHEMBL40317 | 154792 | 3 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| 70686652 | 76423 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 3 | 4 | 5 | -0.1 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(O)O2 | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL2068576 | 76423 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 3 | 4 | 5 | -0.1 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(O)O2 | 10.1016/j.bmc.2011.11.054 | ||
| 70686652 | 76423 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 3 | 4 | 5 | -0.1 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(O)O2 | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL2068576 | 76423 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 3 | 4 | 5 | -0.1 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(O)O2 | 10.1016/j.bmc.2011.11.054 | ||
| 53380559 | 63310 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL1800936 | 63310 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 53380559 | 63310 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL1800936 | 63310 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 44444185 | 154220 | 0 | None | -43 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL400067 | 154220 | 0 | None | -43 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| 14485410 | 202397 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OCC(O)CNC(C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL70217 | 202397 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OCC(O)CNC(C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| 145974110 | 163923 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 356 | 8 | 1 | 3 | 4.6 | COc1ccc2c(c1)c(CCNCCCc1ccc(Cl)cc1)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4214185 | 163923 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 356 | 8 | 1 | 3 | 4.6 | COc1ccc2c(c1)c(CCNCCCc1ccc(Cl)cc1)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| 14485432 | 202819 | 0 | None | - | 1 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 488 | 12 | 3 | 4 | 5.8 | C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm00163a036 | ||
| CHEMBL72707 | 202819 | 0 | None | - | 1 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 488 | 12 | 3 | 4 | 5.8 | C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm00163a036 | ||
| 145978746 | 163144 | 0 | None | - | 1 | Human | 3.4 | pKi | = | 3.4 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 4.2 | CC(CC(F)(F)F)NCc1ccc(-c2nccs2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4204907 | 163144 | 0 | None | - | 1 | Human | 3.4 | pKi | = | 3.4 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 4.2 | CC(CC(F)(F)F)NCc1ccc(-c2nccs2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 44286964 | 162844 | 0 | None | 1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 399 | 9 | 4 | 4 | 3.1 | C[C@H](Cc1ccc(OCP(=O)(O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL41948 | 162844 | 0 | None | 1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 399 | 9 | 4 | 4 | 3.1 | C[C@H](Cc1ccc(OCP(=O)(O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 6603724 | 154792 | 3 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| CHEMBL40317 | 154792 | 3 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| 145947253 | 167090 | 0 | None | -1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 364 | 10 | 3 | 5 | 1.2 | CNCC(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4162590 | 167090 | 0 | None | -1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 364 | 10 | 3 | 5 | 1.2 | CNCC(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4301724 | 167090 | 0 | None | -1 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 364 | 10 | 3 | 5 | 1.2 | CNCC(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| 90644148 | 111755 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 474 | 10 | 4 | 6 | 3.9 | O=C(c1ccccc1)C1CCN(c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)CC1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290977 | 111755 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 474 | 10 | 4 | 6 | 3.9 | O=C(c1ccccc1)C1CCN(c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)CC1 | 10.1016/j.bmcl.2014.04.069 | ||
| 2867500 | 55230 | 8 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 336 | 8 | 2 | 5 | 1.5 | Cc1ccc(C(C)C)c(OCC(O)CN2CCN(CCO)CC2)c1 | 10.1021/jm300280e | ||
| CHEMBL1620339 | 55230 | 8 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 336 | 8 | 2 | 5 | 1.5 | Cc1ccc(C(C)C)c(OCC(O)CN2CCN(CCO)CC2)c1 | 10.1021/jm300280e | ||
| 1070880 | 55444 | 8 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 355 | 6 | 1 | 5 | 4.7 | CC(=O)c1c(CSc2ccccc2)oc2ccc(O)c(CN(C)C)c12 | 10.1021/jm300280e | ||
| 28434923 | 55444 | 8 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 355 | 6 | 1 | 5 | 4.7 | CC(=O)c1c(CSc2ccccc2)oc2ccc(O)c(CN(C)C)c12 | 10.1021/jm300280e | ||
| CHEMBL1622248 | 55444 | 8 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 355 | 6 | 1 | 5 | 4.7 | CC(=O)c1c(CSc2ccccc2)oc2ccc(O)c(CN(C)C)c12 | 10.1021/jm300280e | ||
| 183812 | 204025 | 21 | None | 977 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL82663 | 204025 | 21 | None | 977 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 464 | 13 | 3 | 8 | 2.9 | O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2012.07.096 | ||
| 52943362 | 17366 | 0 | None | 2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258025 | 17366 | 0 | None | 2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 688468 | 141800 | 7 | None | 190 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL388570 | 141800 | 7 | None | 190 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 6 | 5 | 5 | 2.1 | C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 49864416 | 15470 | 0 | None | 30 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221736 | 15470 | 0 | None | 30 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCCC3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 16735257 | 85304 | 0 | None | 151 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228992 | 85304 | 0 | None | 151 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 16735257 | 85304 | 0 | None | 151 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228992 | 85304 | 0 | None | 151 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 118710939 | 113250 | 0 | None | 14 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.7 | CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323657 | 113250 | 0 | None | 14 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 5 | 4 | 5 | 2.7 | CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | ||
| 49864441 | 15473 | 0 | None | 4 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 346 | 7 | 4 | 6 | 2.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221803 | 15473 | 0 | None | 4 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 346 | 7 | 4 | 6 | 2.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 24937389 | 17266 | 0 | None | -4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257675 | 17266 | 0 | None | -4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 46889699 | 6570 | 0 | None | 26 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 470 | 8 | 1 | 5 | 4.1 | C=CCc1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083364 | 6570 | 0 | None | 26 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 470 | 8 | 1 | 5 | 4.1 | C=CCc1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 49864414 | 15468 | 0 | None | 37 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221734 | 15468 | 0 | None | 37 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 4 | 4 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC[C@H](O)c1ccc(O)c3[nH]c(=O)sc13)C2 | 10.1016/j.bmcl.2010.06.136 | ||
| 44361723 | 33806 | 0 | None | - | 1 | Dog | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 7 | 2 | 7 | 2.3 | COc1ccccc1N1CCN(CC(O)COc2ccc3c(c2)NC(=O)CS3)CC1 | 10.1016/s0960-894x(00)00016-0 | ||
| CHEMBL142474 | 33806 | 0 | None | - | 1 | Dog | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 7 | 2 | 7 | 2.3 | COc1ccccc1N1CCN(CC(O)COc2ccc3c(c2)NC(=O)CS3)CC1 | 10.1016/s0960-894x(00)00016-0 | ||
| 11299620 | 96835 | 2 | None | -74131 | 6 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL269004 | 96835 | 2 | None | -74131 | 6 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 | 10.1016/j.bmc.2016.04.028 | ||
| 53379897 | 63315 | 0 | None | 40 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800961 | 63315 | 0 | None | 40 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 14485423 | 202668 | 0 | None | - | 1 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 434 | 12 | 3 | 4 | 5.1 | Cc1ccc(NC(=O)CCCC[C@H](C)NC[C@H](O)COc2cccc3ccccc23)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL71765 | 202668 | 0 | None | - | 1 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 434 | 12 | 3 | 4 | 5.1 | Cc1ccc(NC(=O)CCCC[C@H](C)NC[C@H](O)COc2cccc3ccccc23)cc1 | 10.1021/jm00163a036 | ||
| 52943932 | 17574 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258705 | 17574 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 73056754 | 103799 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099659 | 103799 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 155513731 | 169226 | 0 | None | 2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4439238 | 169226 | 0 | None | 2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 241 | 6 | 4 | 5 | 0.8 | CC(C)NC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 1960 | 2815 | 64 | None | -30 | 26 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| 439260 | 2815 | 64 | None | -30 | 26 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| 505 | 2815 | 64 | None | -30 | 26 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| CHEMBL1437 | 2815 | 64 | None | -30 | 26 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| DB00368 | 2815 | 64 | None | -30 | 26 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| 9958539 | 102631 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1021/jm990012z | ||
| CHEMBL307647 | 102631 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1021/jm990012z | ||
| 44287268 | 158471 | 0 | None | -2 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | CC(C)OP(=O)(O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL40966 | 158471 | 0 | None | -2 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | CC(C)OP(=O)(O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | ||
| 73056758 | 103800 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099660 | 103800 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 5581 | 101188 | 10 | None | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | ||
| CHEMBL299175 | 101188 | 10 | None | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | ||
| 5581 | 101188 | 10 | None | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | ||
| CHEMBL299175 | 101188 | 10 | None | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | ||
| 73056758 | 103800 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099660 | 103800 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 331 | 8 | 4 | 5 | 2.8 | CC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 25023951 | 176379 | 0 | None | - | 1 | Golden hamster | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 489 | 11 | 8 | 13 | -0.8 | Nc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| CHEMBL462274 | 176379 | 0 | None | - | 1 | Golden hamster | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 489 | 11 | 8 | 13 | -0.8 | Nc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| 693141 | 115684 | 37 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 177 | 2 | 1 | 2 | 2.6 | CNCc1cc2ccccc2s1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL3358195 | 115684 | 37 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 177 | 2 | 1 | 2 | 2.6 | CNCc1cc2ccccc2s1 | 10.1021/acs.jmedchem.7b01558 | ||
| 14485419 | 102264 | 0 | None | - | 1 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 434 | 12 | 3 | 4 | 5.1 | Cc1ccc(NC(=O)CCCCC(C)NCC(O)COc2cccc3ccccc23)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL304961 | 102264 | 0 | None | - | 1 | Mouse | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 434 | 12 | 3 | 4 | 5.1 | Cc1ccc(NC(=O)CCCCC(C)NCC(O)COc2cccc3ccccc23)cc1 | 10.1021/jm00163a036 | ||
| 10834286 | 113962 | 0 | None | 19 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 2 | 3 | 3 | 4.6 | Oc1cc2c(cc1O)C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC2 | 10.1021/jm960208o | ||
| CHEMBL333438 | 113962 | 0 | None | 19 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 391 | 2 | 3 | 3 | 4.6 | Oc1cc2c(cc1O)C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC2 | 10.1021/jm960208o | ||
| 10236758 | 115272 | 3 | None | -44668 | 13 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL3354065 | 115272 | 3 | None | -44668 | 13 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 145972154 | 164137 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 303 | 5 | 1 | 3 | 4.3 | Cc1ccccc1C(C)NCc1ccc(-c2ncccn2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4217119 | 164137 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 303 | 5 | 1 | 3 | 4.3 | Cc1ccccc1C(C)NCc1ccc(-c2ncccn2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 13720716 | 62724 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL1788251 | 62724 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 52946357 | 17540 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258598 | 17540 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 70684846 | 77261 | 9 | None | 4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.2 | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088197 | 77261 | 9 | None | 4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.2 | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3c1CCC(=O)N3)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 155552185 | 173489 | 0 | None | -8128 | 16 | Human | 5.4 | pKi | = | 5.4 | 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 | -8128 | 16 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 44423646 | 84814 | 0 | None | 4 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | ||
| CHEMBL225775 | 84814 | 0 | None | 4 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | ||
| 10103956 | 11096 | 0 | None | -2 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178707 | 11096 | 0 | None | -2 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL38114 | 11096 | 0 | None | -2 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CC/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| 14485430 | 202446 | 0 | None | - | 1 | Mouse | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 488 | 12 | 3 | 4 | 5.8 | C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm00163a036 | ||
| CHEMBL70539 | 202446 | 0 | None | - | 1 | Mouse | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 488 | 12 | 3 | 4 | 5.8 | C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm00163a036 | ||
| 443372 | 10138 | 23 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL1160723 | 10138 | 23 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL2062275 | 10138 | 23 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2016.04.028 | ||
| 10947658 | 28490 | 0 | None | -4168 | 16 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| CHEMBL137781 | 28490 | 0 | None | -4168 | 16 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 335 | 1 | 1 | 2 | 3.0 | C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 | 10.1021/jm020153s | ||
| 155537285 | 171717 | 0 | None | 5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 558 | 19 | 6 | 8 | 1.2 | CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| CHEMBL4474813 | 171717 | 0 | None | 5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 558 | 19 | 6 | 8 | 1.2 | CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C | 10.1021/acs.jmedchem.9b00595 | ||
| 123600 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 123600 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 127046951 | 139372 | 0 | None | 11 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3799427 | 139372 | 0 | None | 11 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 437 | 12 | 4 | 6 | 4.0 | COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 16735257 | 85304 | 0 | None | 151 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| CHEMBL228992 | 85304 | 0 | None | 151 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| 2977358 | 55892 | 3 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 271 | 7 | 2 | 3 | 2.7 | CC(O)CNCCOc1ccccc1-c1ccccc1 | 10.1021/jm200371q | ||
| CHEMBL1626224 | 55892 | 3 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 271 | 7 | 2 | 3 | 2.7 | CC(O)CNCCOc1ccccc1-c1ccccc1 | 10.1021/jm200371q | ||
| 16735257 | 85304 | 0 | None | 151 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| CHEMBL228992 | 85304 | 0 | None | 151 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | nan | ||
| 73057082 | 103804 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099664 | 103804 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 73057082 | 103804 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099664 | 103804 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 16735257 | 85304 | 0 | None | 151 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| CHEMBL228992 | 85304 | 0 | None | 151 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| 11432806 | 65866 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 11432806 | 65866 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL184407 | 65866 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL184407 | 65866 | 0 | None | -12 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 49864381 | 15458 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221638 | 15458 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 380 | 5 | 4 | 5 | 3.8 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.06.136 | ||
| 5581 | 101188 | 10 | None | 1 | 7 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL299175 | 101188 | 10 | None | 1 | 7 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 10651147 | 110194 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL32599 | 110194 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 44361776 | 35363 | 0 | None | - | 1 | Dog | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 417 | 6 | 2 | 6 | 2.4 | O=C1CSc2cc(OCC(O)CN3CCN(c4ccc(F)cc4)CC3)ccc2N1 | 10.1016/s0960-894x(00)00016-0 | ||
| CHEMBL143944 | 35363 | 0 | None | - | 1 | Dog | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 417 | 6 | 2 | 6 | 2.4 | O=C1CSc2cc(OCC(O)CN3CCN(c4ccc(F)cc4)CC3)ccc2N1 | 10.1016/s0960-894x(00)00016-0 | ||
| 10292413 | 93843 | 0 | None | 7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 367 | 9 | 2 | 6 | 3.6 | CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL250352 | 93843 | 0 | None | 7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 367 | 9 | 2 | 6 | 3.6 | CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| 12828562 | 109218 | 0 | None | -3 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | ||
| CHEMBL322842 | 109218 | 0 | None | -3 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 237 | 3 | 3 | 4 | 1.7 | CC(C)NCC1OCCc2cc(O)c(O)cc21 | 10.1021/jm00073a006 | ||
| 13864381 | 206603 | 3 | None | -48 | 4 | Bovine | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | ||
| CHEMBL542683 | 206603 | 3 | None | -48 | 4 | Bovine | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | ||
| CHEMBL99361 | 206603 | 3 | None | -48 | 4 | Bovine | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.7 | NCC1OCCc2c1ccc(O)c2O | 10.1021/jm00073a006 | ||
| 9816183 | 100081 | 5 | None | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL29141 | 100081 | 5 | None | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 240 | 3 | 4 | 6 | 1.0 | CNCC(O)c1ccc(O)c2nc(O)sc12 | 10.1016/j.bmcl.2010.06.136 | ||
| 56943518 | 111969 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298329 | 111969 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943545 | 111970 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298330 | 111970 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 15461453 | 172242 | 0 | None | 4 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 4.8 | COc1ccccc1OCCNCCCOc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4513932 | 172242 | 0 | None | 4 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 4.8 | COc1ccccc1OCCNCCCOc1cccc2[nH]c3ccccc3c12 | 10.1021/acs.jmedchem.9b00349 | ||
| 118710941 | 113252 | 0 | None | 5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 370 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323659 | 113252 | 0 | None | 5 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 370 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 44393865 | 123582 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 13 | 4 | 5 | 3.8 | O=CNc1cc([C@@H](O)CNCCc2ccc(OCCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| CHEMBL363329 | 123582 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 13 | 4 | 5 | 3.8 | O=CNc1cc([C@@H](O)CNCCc2ccc(OCCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| 46889729 | 6999 | 0 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 434 | 9 | 1 | 5 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1085016 | 6999 | 0 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 434 | 9 | 1 | 5 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 10273469 | 93819 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL250144 | 93819 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 1960 | 2815 | 64 | None | -338 | 26 | Dog | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 439260 | 2815 | 64 | None | -338 | 26 | Dog | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 505 | 2815 | 64 | None | -338 | 26 | Dog | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| CHEMBL1437 | 2815 | 64 | None | -338 | 26 | Dog | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| DB00368 | 2815 | 64 | None | -338 | 26 | Dog | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 681 | 1437 | 65 | None | -93 | 38 | Dog | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | ||
| 940 | 1437 | 65 | None | -93 | 38 | Dog | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | ||
| 947 | 1437 | 65 | None | -93 | 38 | Dog | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | ||
| CHEMBL59 | 1437 | 65 | None | -93 | 38 | Dog | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | ||
| DB00988 | 1437 | 65 | None | -93 | 38 | Dog | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1021/jm990599h | ||
| 541604 | 164787 | 10 | None | -72 | 4 | Dog | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | ||
| CHEMBL42359 | 164787 | 10 | None | -72 | 4 | Dog | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 201 | 3 | 4 | 4 | 0.5 | CNCC(O)c1cc(O)c(O)cc1F | 10.1021/jm990599h | ||
| 44423641 | 84973 | 0 | None | 12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | ||
| CHEMBL226293 | 84973 | 0 | None | 12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.11.054 | ||
| 24865725 | 187501 | 0 | None | -1000 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 4.2 | Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | ||
| CHEMBL497963 | 187501 | 0 | None | -1000 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 4.2 | Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 | 10.1021/jm8001444 | ||
| 145946710 | 166996 | 0 | None | 2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 316 | 7 | 3 | 5 | 0.7 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4161638 | 166996 | 0 | None | 2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 316 | 7 | 3 | 5 | 0.7 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL4300393 | 166996 | 0 | None | 2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 316 | 7 | 3 | 5 | 0.7 | CNCC(O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | 10.1021/acs.jmedchem.8b00625 | ||
| 155536080 | 171548 | 0 | None | -34 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.9 | CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4472703 | 171548 | 0 | None | -34 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 219 | 2 | 1 | 2 | 2.9 | CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | ||
| 44396532 | 66423 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185836 | 66423 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 155512746 | 169105 | 0 | None | -19 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 568 | 22 | 3 | 10 | 3.9 | COc1cc(CCNC[C@H](O)COc2ccc(COCCOC(C)C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4437569 | 169105 | 0 | None | -19 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 568 | 22 | 3 | 10 | 3.9 | COc1cc(CCNC[C@H](O)COc2ccc(COCCOC(C)C)cc2)ccc1OCCSSCCN | 10.1016/j.bmc.2019.05.034 | ||
| 10140092 | 94069 | 0 | None | -9 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL251581 | 94069 | 0 | None | -9 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | ||
| 42629372 | 63316 | 0 | None | 52 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800962 | 63316 | 0 | None | 52 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 6 | 4 | 4 | 3.5 | C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10.1021/jm801211c | ||
| 155514341 | 169290 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 640 | 26 | 6 | 11 | -0.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O | 10.1039/C8MD00412A | ||
| CHEMBL4440189 | 169290 | 0 | None | 3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 640 | 26 | 6 | 11 | -0.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O | 10.1039/C8MD00412A | ||
| 9866061 | 77259 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(NCC(O)c1c(C)cc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088195 | 77259 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 406 | 6 | 4 | 4 | 3.5 | CCc1cc2c(cc1CC)CC(NCC(O)c1c(C)cc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 24937387 | 17184 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1ccc(O)cc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257437 | 17184 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1ccc(O)cc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 21138 | 97999 | 34 | None | -1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| CHEMBL275742 | 97999 | 34 | None | -1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | nan | ||
| 10379016 | 16315 | 2 | None | -3 | 3 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 281 | 1 | 1 | 5 | 0.9 | Brc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL123566 | 16315 | 2 | None | -3 | 3 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 281 | 1 | 1 | 5 | 0.9 | Brc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
| 145974110 | 163923 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 356 | 8 | 1 | 3 | 4.6 | COc1ccc2c(c1)c(CCNCCCc1ccc(Cl)cc1)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4214185 | 163923 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 356 | 8 | 1 | 3 | 4.6 | COc1ccc2c(c1)c(CCNCCCc1ccc(Cl)cc1)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| 155541417 | 172459 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccccc1OCCNC[C@H](O)Cc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4518727 | 172459 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccccc1OCCNC[C@H](O)Cc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 46221396 | 8470 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 364 | 4 | 4 | 4 | 2.6 | Cc1cc2c(cc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1094483 | 8470 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 364 | 4 | 4 | 4 | 2.6 | Cc1cc2c(cc1C)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 145978746 | 163144 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 4.2 | CC(CC(F)(F)F)NCc1ccc(-c2nccs2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4204907 | 163144 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 4.2 | CC(CC(F)(F)F)NCc1ccc(-c2nccs2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 16735261 | 85306 | 0 | None | 47 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| CHEMBL228998 | 85306 | 0 | None | 47 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| 123133222 | 159500 | 0 | None | 6 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | ||
| CHEMBL4108239 | 159500 | 0 | None | 6 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 | nan | ||
| 16735261 | 85306 | 0 | None | 47 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| CHEMBL228998 | 85306 | 0 | None | 47 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1021/jm070030d | ||
| 127046952 | 139571 | 0 | None | -4 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 12 | 3 | 5 | 4.5 | COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3800636 | 139571 | 0 | None | -4 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 12 | 3 | 5 | 4.5 | COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 44361630 | 35043 | 0 | None | - | 1 | Dog | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 417 | 6 | 2 | 6 | 2.4 | O=C1CSc2ccc(OCC(O)CN3CCN(c4ccc(F)cc4)CC3)cc2N1 | 10.1016/s0960-894x(00)00016-0 | ||
| CHEMBL143608 | 35043 | 0 | None | - | 1 | Dog | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 417 | 6 | 2 | 6 | 2.4 | O=C1CSc2ccc(OCC(O)CN3CCN(c4ccc(F)cc4)CC3)cc2N1 | 10.1016/s0960-894x(00)00016-0 | ||
| 44310958 | 203002 | 0 | None | - | 1 | Mouse | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL74122 | 203002 | 0 | None | - | 1 | Mouse | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| 155545397 | 172812 | 0 | None | 5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1266 | 41 | 6 | 18 | 5.4 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)CCCCCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21 | 10.1039/C8MD00412A | ||
| CHEMBL4527905 | 172812 | 0 | None | 5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1266 | 41 | 6 | 18 | 5.4 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)CCCCCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21 | 10.1039/C8MD00412A | ||
| 24886595 | 17464 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258370 | 17464 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 594115 | 19179 | 2 | None | -3 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1cc(O)c(O)c(F)c1 | 10.1021/jm00076a024 | ||
| CHEMBL129190 | 19179 | 2 | None | -3 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1cc(O)c(O)c(F)c1 | 10.1021/jm00076a024 | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | nan | ||
| 4806 | 3945 | 85 | None | -8 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| 7351 | 3945 | 85 | None | -8 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| 9966051 | 3945 | 85 | None | -8 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| CHEMBL2104993 | 3945 | 85 | None | -8 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| DB09068 | 3945 | 85 | None | -8 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| 9990035 | 11916 | 0 | None | -4 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1183337 | 11916 | 0 | None | -4 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL291115 | 11916 | 0 | None | -4 | 2 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 188 | 7 | 2 | 4 | 0.8 | CCCO/N=C/C(O)CNC(C)C | 10.1021/jm00036a018 | ||
| 123600 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 123600 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 1575 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 9816 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL1002 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| DB13139 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 10.1016/j.bmc.2011.11.054 | ||
| 44424581 | 142803 | 0 | None | -1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL389734 | 142803 | 0 | None | -1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16735276 | 145449 | 0 | None | -1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL3918348 | 145449 | 0 | None | -1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | nan | ||
| 44424581 | 142803 | 0 | None | -1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL389734 | 142803 | 0 | None | -1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 46889809 | 6569 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.0 | O=C1c2cccc3cccc(c23)C(=O)N1C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083363 | 6569 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.0 | O=C1c2cccc3cccc(c23)C(=O)N1C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 44444191 | 171867 | 0 | None | -8 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL447786 | 171867 | 0 | None | -8 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| 155555687 | 173876 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| CHEMBL4553747 | 173876 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 510 | 19 | 3 | 9 | 3.2 | COCCc1ccc(OC[C@@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1 | 10.1016/j.bmc.2019.05.034 | ||
| 5190 | 106422 | 31 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 8 | 2 | 5 | 4.2 | N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1 | 10.1016/j.bmcl.2008.09.046 | ||
| CHEMBL314639 | 106422 | 31 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 8 | 2 | 5 | 4.2 | N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1 | 10.1016/j.bmcl.2008.09.046 | ||
| 128658 | 33753 | 7 | None | -3 | 5 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL142428 | 33753 | 7 | None | -3 | 5 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 12582 | 937 | 40 | None | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| 2783 | 937 | 40 | None | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| CHEMBL49080 | 937 | 40 | None | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| DB01407 | 937 | 40 | None | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | 10.1021/jm801211c | ||
| 155519891 | 169825 | 0 | None | -2 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4447975 | 169825 | 0 | None | -2 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 249 | 2 | 1 | 4 | 1.9 | COc1cc(OC)c2c(c1)OC[C@@]1(C)NCC[C@@H]21 | 10.1021/acsmedchemlett.9b00225 | ||
| 56663519 | 63314 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| CHEMBL1800960 | 63314 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 317 | 7 | 5 | 5 | 2.4 | CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2009.11.062 | ||
| 9992825 | 83951 | 16 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | 10.1021/jm801211c | ||
| CHEMBL2218907 | 83951 | 16 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | 10.1021/jm801211c | ||
| 1862 | 161 | 14 | None | -57 | 7 | Dog | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm990599h | ||
| 510 | 161 | 14 | None | -57 | 7 | Dog | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm990599h | ||
| CHEMBL281232 | 161 | 14 | None | -57 | 7 | Dog | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 10.1021/jm990599h | ||
| 52948728 | 17265 | 0 | None | 2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257674 | 17265 | 0 | None | 2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 146025727 | 171119 | 0 | None | -218 | 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 | -218 | 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 | ||
| 24936881 | 17335 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257913 | 17335 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52943919 | 17539 | 0 | None | 14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258597 | 17539 | 0 | None | 14 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 11647002 | 15462 | 0 | None | 22 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221681 | 15462 | 0 | None | 22 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 7 | 4 | 6 | 3.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 49864440 | 15472 | 0 | None | 29 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 7 | 4 | 7 | 2.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCN(CCN4CCCCCC4)CC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221802 | 15472 | 0 | None | 29 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 7 | 4 | 7 | 2.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCN(CCN4CCCCCC4)CC3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 127046949 | 139379 | 0 | None | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 12 | 3 | 5 | 4.6 | COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3799455 | 139379 | 0 | None | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 12 | 3 | 5 | 4.6 | COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 | 10.1016/j.bmc.2016.04.028 | ||
| 9871386 | 111779 | 4 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3290999 | 111779 | 4 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 66796015 | 111968 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298328 | 111968 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943546 | 111986 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298691 | 111986 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 11169365 | 112020 | 0 | None | 99 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298986 | 112020 | 0 | None | 99 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 10548754 | 16206 | 0 | None | 154 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 396 | 2 | 4 | 4 | 2.7 | Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| CHEMBL122990 | 16206 | 0 | None | 154 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 396 | 2 | 4 | 4 | 2.7 | Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| 44433250 | 88648 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 6 | 3 | 3 | 3.5 | O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | ||
| CHEMBL236514 | 88648 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 6 | 3 | 3 | 3.5 | O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | 10.1016/j.bmcl.2007.07.086 | ||
| 118710935 | 113246 | 0 | None | 9 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323653 | 113246 | 0 | None | 9 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 4 | 5 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 118710947 | 113260 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 8 | 4 | 5 | 3.4 | CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323667 | 113260 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 8 | 4 | 5 | 3.4 | CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2014.06.014 | ||
| 53319788 | 58234 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 624 | 17 | 5 | 6 | 5.4 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683939 | 58234 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 624 | 17 | 5 | 6 | 5.4 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1 | 10.1016/j.bmcl.2011.01.043 | ||
| 10324985 | 76428 | 7 | None | -44 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
| CHEMBL199824 | 76428 | 7 | None | -44 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
| CHEMBL2068762 | 76428 | 7 | None | -44 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
| 1960 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | ||
| 439260 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | ||
| 505 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | ||
| CHEMBL1437 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | ||
| DB00368 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00084a006 | ||
| 1960 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | ||
| 439260 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | ||
| 505 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | ||
| CHEMBL1437 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | ||
| DB00368 | 2815 | 64 | None | -36 | 26 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00073a006 | ||
| 16735263 | 85365 | 0 | None | 5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229442 | 85365 | 0 | None | 5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 123133225 | 144276 | 0 | None | 5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL3909417 | 144276 | 0 | None | 5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 16735263 | 85365 | 0 | None | 5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229442 | 85365 | 0 | None | 5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 302 | 6 | 5 | 5 | 1.9 | C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 319 | 1297 | 39 | None | -16 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| 321 | 1297 | 39 | None | -16 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| 444031 | 1297 | 39 | None | -16 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| 784 | 1297 | 39 | None | -16 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1346 | 1297 | 39 | None | -16 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| DB00496 | 1297 | 39 | None | -16 | 9 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2011.01.043 | ||
| 10054373 | 58232 | 0 | None | -436 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 603 | 17 | 5 | 7 | 6.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| CHEMBL1683936 | 58232 | 0 | None | -436 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 603 | 17 | 5 | 7 | 6.6 | O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)CC1 | 10.1016/j.bmcl.2011.01.043 | ||
| 127047996 | 139116 | 0 | None | -138 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 303 | 8 | 3 | 5 | 2.3 | COc1ccccc1OCCNCCc1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3797758 | 139116 | 0 | None | -138 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 303 | 8 | 3 | 5 | 2.3 | COc1ccccc1OCCNCCc1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| 681 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 940 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 947 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL59 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2016.04.028 | ||
| DB00988 | 1437 | 65 | None | -707 | 38 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/j.bmc.2016.04.028 | ||
| 10544781 | 202979 | 0 | None | 10 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 5 | 2 | 7 | 2.2 | COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC | 10.1021/jm990012z | ||
| CHEMBL73917 | 202979 | 0 | None | 10 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 5 | 2 | 7 | 2.2 | COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC | 10.1021/jm990012z | ||
| 12353629 | 202225 | 0 | None | -1 | 3 | Bovine | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 237 | 2 | 4 | 4 | 1.4 | CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | ||
| CHEMBL6913 | 202225 | 0 | None | -1 | 3 | Bovine | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 237 | 2 | 4 | 4 | 1.4 | CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O | 10.1021/jm00084a006 | ||
| 14485418 | 202214 | 0 | None | - | 1 | Mouse | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL69036 | 202214 | 0 | None | - | 1 | Mouse | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 495 | 13 | 4 | 5 | 4.6 | CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](C)CCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm00163a036 | ||
| 10311070 | 111768 | 0 | None | 316 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290989 | 111768 | 0 | None | 316 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 484 | 11 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 567 | 716 | 10 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | ||
| 9841972 | 716 | 10 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL284782 | 716 | 10 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | ||
| 567 | 716 | 10 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | ||
| 9841972 | 716 | 10 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL284782 | 716 | 10 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | ||
| 59119455 | 111770 | 0 | None | 19 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290990 | 111770 | 0 | None | 19 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 408 | 10 | 5 | 6 | 3.5 | COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1 | 10.1016/j.bmcl.2014.04.069 | ||
| 90644154 | 111764 | 0 | None | 5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc4ccccc34)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290985 | 111764 | 0 | None | 5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 9 | 5 | 5 | 4.6 | OCc1cc(C(O)CNCCc2ccc(Nc3cccc4ccccc34)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 9960584 | 154092 | 0 | None | -10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL399329 | 154092 | 0 | None | -10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| 1028 | 287 | 69 | None | -30 | 29 | Dog | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 139148732 | 287 | 69 | None | -30 | 29 | Dog | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 479 | 287 | 69 | None | -30 | 29 | Dog | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 5816 | 287 | 69 | None | -30 | 29 | Dog | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| CHEMBL679 | 287 | 69 | None | -30 | 29 | Dog | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| DB00668 | 287 | 69 | None | -30 | 29 | Dog | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm990599h | ||
| 70684522 | 76424 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 343 | 4 | 3 | 4 | 1.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2 | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL2068577 | 76424 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 343 | 4 | 3 | 4 | 1.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2 | 10.1016/j.bmc.2011.11.054 | ||
| 70684522 | 76424 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 343 | 4 | 3 | 4 | 1.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2 | 10.1016/j.bmc.2011.11.054 | ||
| CHEMBL2068577 | 76424 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 343 | 4 | 3 | 4 | 1.4 | CC(C)(C)NC[C@H](O)c1ccc2c(c1)C[OH+][B-](O)(c1ccccc1)O2 | 10.1016/j.bmc.2011.11.054 | ||
| 10352428 | 100636 | 1 | None | 1 | 4 | Dog | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| CHEMBL295072 | 100636 | 1 | None | 1 | 4 | Dog | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1021/jm990599h | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | ||
| 52943383 | 17399 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258142 | 17399 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 6603724 | 154792 | 3 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| CHEMBL40317 | 154792 | 3 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1cc(O)c(O)cc1F | 10.1016/j.bmc.2009.10.015 | ||
| 155558987 | 174213 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 225 | 6 | 3 | 4 | 1.9 | CC(C)NCCCOc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4561683 | 174213 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 225 | 6 | 3 | 4 | 1.9 | CC(C)NCCCOc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 46221604 | 8472 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1ccc(CC)c2c1CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| CHEMBL1094487 | 8472 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1ccc(CC)c2c1CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1021/jm100068m | ||
| 24937013 | 17267 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257676 | 17267 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 2769774 | 6640 | 16 | None | 16 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 7 | 1 | 4 | 1.5 | C=CCc1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083667 | 6640 | 16 | None | 16 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 7 | 1 | 4 | 1.5 | C=CCc1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 118710942 | 113253 | 0 | None | 8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323660 | 113253 | 0 | None | 8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 5 | 4 | 5 | 3.6 | Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2014.06.014 | ||
| 146025803 | 175603 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4593181 | 175603 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 467 | 14 | 4 | 7 | 3.7 | COc1cc(CCNC[C@H](O)COc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 49864412 | 15466 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221732 | 15466 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 7 | 4 | 6 | 3.4 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 12147227 | 61663 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 142109147 | 61663 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44386630 | 61663 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 69921317 | 61663 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL177442 | 61663 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 10789142 | 113695 | 0 | None | 190 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 438 | 3 | 4 | 4 | 3.1 | CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| CHEMBL332964 | 113695 | 0 | None | 190 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 438 | 3 | 4 | 4 | 3.1 | CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| 44393894 | 123555 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 12 | 4 | 5 | 3.4 | O=CNc1cc([C@@H](O)CNCCc2ccc(OCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| CHEMBL363260 | 123555 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 12 | 4 | 5 | 3.4 | O=CNc1cc([C@@H](O)CNCCc2ccc(OCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| 44396729 | 66528 | 0 | None | -26 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL186247 | 66528 | 0 | None | -26 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 5187268 | 6499 | 11 | None | 10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 9 | 1 | 6 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083053 | 6499 | 11 | None | 10 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 9 | 1 | 6 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 2796082 | 6757 | 4 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1083995 | 6757 | 4 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 2796082 | 6757 | 4 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083995 | 6757 | 4 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | ||
| 155512924 | 169132 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 451 | 14 | 3 | 6 | 4.7 | COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4437939 | 169132 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 451 | 14 | 3 | 6 | 4.7 | COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 | 10.1021/acs.jmedchem.9b00349 | ||
| 10352428 | 100636 | 1 | None | -1047 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1016/j.bmc.2009.10.015 | ||
| CHEMBL295072 | 100636 | 1 | None | -1047 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 187 | 2 | 4 | 4 | 0.2 | NC[C@H](O)c1ccc(O)c(O)c1F | 10.1016/j.bmc.2009.10.015 | ||
| 44444189 | 94060 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 15 | 4 | 7 | 4.8 | CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL251555 | 94060 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 15 | 4 | 7 | 4.8 | CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | ||
| 541614 | 17830 | 1 | None | 3 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 3 | 4 | 4 | 0.6 | CNCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | ||
| CHEMBL126347 | 17830 | 1 | None | 3 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 219 | 3 | 4 | 4 | 0.6 | CNCC(O)c1cc(F)c(O)c(O)c1F | 10.1021/jm00076a024 | ||
| 15162894 | 202682 | 1 | None | - | 1 | Bovine | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 195 | 0 | 4 | 4 | 0.4 | N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O | 10.1021/jm00084a006 | ||
| CHEMBL7185 | 202682 | 1 | None | - | 1 | Bovine | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 195 | 0 | 4 | 4 | 0.4 | N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O | 10.1021/jm00084a006 | ||
| 1028 | 287 | 69 | None | -12 | 29 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| 139148732 | 287 | 69 | None | -12 | 29 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| 479 | 287 | 69 | None | -12 | 29 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| 5816 | 287 | 69 | None | -12 | 29 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| CHEMBL679 | 287 | 69 | None | -12 | 29 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| DB00668 | 287 | 69 | None | -12 | 29 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00076a024 | ||
| 11819522 | 11911 | 0 | None | -4 | 2 | Bovine | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1183318 | 11911 | 0 | None | -4 | 2 | Bovine | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| CHEMBL290153 | 11911 | 0 | None | -4 | 2 | Bovine | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 6 | 2 | 4 | 0.4 | C/C=N/OCC(O)CNC(C)C | 10.1021/jm00036a018 | ||
| 44286980 | 147360 | 0 | None | -3 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 397 | 9 | 3 | 4 | 3.8 | C[C@H](Cc1ccc(OCP(C)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL39334 | 147360 | 0 | None | -3 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 397 | 9 | 3 | 4 | 3.8 | C[C@H](Cc1ccc(OCP(C)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 1621 | 2396 | 16 | None | -218 | 44 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| 17 | 2396 | 16 | None | -218 | 44 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| 5761 | 2396 | 16 | None | -218 | 44 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| CHEMBL263881 | 2396 | 16 | None | -218 | 44 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| DB04829 | 2396 | 16 | None | -218 | 44 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | 10.1021/jm020153s | ||
| 155526662 | 170620 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccccc1OCCNC[C@@H](O)Cc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4459109 | 170620 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccccc1OCCNC[C@@H](O)Cc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 43634116 | 164263 | 1 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 303 | 4 | 1 | 1 | 5.1 | CC(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4218602 | 164263 | 1 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 303 | 4 | 1 | 1 | 5.1 | CC(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 9827999 | 130382 | 0 | None | -7 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 519 | 9 | 5 | 10 | 0.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(Cn4oc(=O)[nH]c4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL368584 | 130382 | 0 | None | -7 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 519 | 9 | 5 | 10 | 0.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(Cn4oc(=O)[nH]c4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 155552760 | 173537 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 24 | 4 | 10 | -0.2 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)CS(=O)(=O)O | 10.1039/C8MD00412A | ||
| CHEMBL4545079 | 173537 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 24 | 4 | 10 | -0.2 | C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)CS(=O)(=O)O | 10.1039/C8MD00412A | ||
| 4183 | 1994 | 62 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| 6918554 | 1994 | 62 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| 7455 | 1994 | 62 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| CHEMBL1095777 | 1994 | 62 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| DB05039 | 1994 | 62 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 10.1021/jm100068m | ||
| 11188590 | 77267 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 4.2 | CCC1=C(CC)CC2=C(C1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| CHEMBL2088202 | 77267 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 4.2 | CCC1=C(CC)CC2=C(C1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 | 10.1016/j.bmcl.2012.07.096 | ||
| 73056756 | 103803 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL3099663 | 103803 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 345 | 9 | 4 | 5 | 3.1 | CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1016/j.bmc.2013.11.030 | ||
| 44622849 | 195116 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 293 | 2 | 1 | 5 | 1.7 | Cc1nc2c3c(nc(Cc4ccccc4)n2n1)CCNCC3 | 10.1016/j.bmcl.2009.07.063 | ||
| CHEMBL565547 | 195116 | 0 | None | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 293 | 2 | 1 | 5 | 1.7 | Cc1nc2c3c(nc(Cc4ccccc4)n2n1)CCNCC3 | 10.1016/j.bmcl.2009.07.063 | ||
| 15580747 | 64831 | 0 | None | -3 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 397 | 8 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | ||
| CHEMBL1824264 | 64831 | 0 | None | -3 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 397 | 8 | 2 | 7 | 2.3 | COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1 | 10.1016/j.bmcl.2011.06.106 | ||
| 46889727 | 6571 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(OC)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083366 | 6571 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(OC)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 155524193 | 170327 | 0 | None | 22 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 685 | 25 | 7 | 11 | 0.1 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O | 10.1039/C8MD00412A | ||
| CHEMBL4454523 | 170327 | 0 | None | 22 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 685 | 25 | 7 | 11 | 0.1 | CC(C)NCC(O)COc1ccccc1CCCSCC(=O)NCCOCCOCCNC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O | 10.1039/C8MD00412A | ||
| 14485428 | 202498 | 0 | None | - | 1 | Mouse | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 488 | 12 | 3 | 4 | 5.8 | CC(CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCC(O)COc1cccc2ccccc12 | 10.1021/jm00163a036 | ||
| CHEMBL70840 | 202498 | 0 | None | - | 1 | Mouse | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 488 | 12 | 3 | 4 | 5.8 | CC(CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCC(O)COc1cccc2ccccc12 | 10.1021/jm00163a036 | ||
| 24229559 | 163619 | 53 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 185 | 2 | 1 | 3 | 1.6 | NCc1ccc(-c2ncccn2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4210507 | 163619 | 53 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 185 | 2 | 1 | 3 | 1.6 | NCc1ccc(-c2ncccn2)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 43634116 | 164263 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 303 | 4 | 1 | 1 | 5.1 | CC(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4218602 | 164263 | 1 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 303 | 4 | 1 | 1 | 5.1 | CC(NC1CC(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.7b01558 | ||
| 90644139 | 111772 | 0 | None | 100 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 424 | 10 | 5 | 6 | 4.2 | CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290992 | 111772 | 0 | None | 100 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 424 | 10 | 5 | 6 | 4.2 | CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 155540000 | 172312 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4515498 | 172312 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 349 | 10 | 4 | 7 | 1.5 | COc1ccccc1OCCNC[C@@H](O)COc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 146015362 | 934 | 6 | None | -63 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000544b | ||
| 3462 | 934 | 6 | None | -63 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000544b | ||
| 5486546 | 934 | 6 | None | -63 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000544b | ||
| CHEMBL1204876 | 934 | 6 | None | -63 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000544b | ||
| 16737412 | 85355 | 0 | None | 3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL229388 | 85355 | 0 | None | 3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 59119472 | 111765 | 0 | None | 31 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 418 | 9 | 5 | 5 | 4.0 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290986 | 111765 | 0 | None | 31 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 418 | 9 | 5 | 5 | 4.0 | OCc1cc(C(O)CNCCc2ccc(Nc3ccc4c(c3)CCC4)cc2)ccc1O | 10.1016/j.bmcl.2014.04.069 | ||
| 3323563 | 76602 | 14 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 6 | 1 | 3 | 3.3 | Cc1ccc(C(C)C)c(OCC(O)CN2CCCCC2)c1 | 10.1021/jm300280e | ||
| CHEMBL2070834 | 76602 | 14 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 6 | 1 | 3 | 3.3 | Cc1ccc(C(C)C)c(OCC(O)CN2CCCCC2)c1 | 10.1021/jm300280e | ||
| 16737412 | 85355 | 0 | None | 3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229388 | 85355 | 0 | None | 3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 16737412 | 85355 | 0 | None | 3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL229388 | 85355 | 0 | None | 3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 46889772 | 6917 | 0 | None | -79 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 563 | 8 | 2 | 6 | 5.2 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084707 | 6917 | 0 | None | -79 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 563 | 8 | 2 | 6 | 5.2 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | ||
| 44393937 | 168611 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 448 | 14 | 4 | 5 | 4.2 | O=CNc1cc([C@@H](O)CNCCc2cccc(OCCCCc3ccccc3)c2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| CHEMBL440561 | 168611 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 448 | 14 | 4 | 5 | 4.2 | O=CNc1cc([C@@H](O)CNCCc2cccc(OCCCCc3ccccc3)c2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| 10349225 | 16207 | 0 | None | 40 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 564 | 3 | 4 | 4 | 3.7 | CC(=O)Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| CHEMBL122992 | 16207 | 0 | None | 40 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 564 | 3 | 4 | 4 | 3.7 | CC(=O)Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | ||
| 52949934 | 17466 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258372 | 17466 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 3687256 | 6756 | 6 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083994 | 6756 | 6 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| 46889767 | 6994 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 400 | 9 | 1 | 5 | 2.4 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1085009 | 6994 | 0 | None | 5 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 400 | 9 | 1 | 5 | 2.4 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 4421983 | 7198 | 5 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1086005 | 7198 | 5 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 145966568 | 163487 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 7 | 1 | 4 | 4.6 | COc1ccc2c(c1)c(CCNCc1cc(OC(F)(F)F)ccc1F)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4208846 | 163487 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 7 | 1 | 4 | 4.6 | COc1ccc2c(c1)c(CCNCc1cc(OC(F)(F)F)ccc1F)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| 122442272 | 137820 | 0 | None | -28 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137820 | 0 | None | -28 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137820 | 0 | None | -28 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 24936489 | 17336 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257914 | 17336 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44423644 | 84984 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | ||
| CHEMBL226348 | 84984 | 0 | None | 13 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | ||
| 14485407 | 102277 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL305051 | 102277 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| 122442272 | 137820 | 0 | None | -28 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137820 | 0 | None | -28 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137820 | 0 | None | -28 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 10376053 | 13024 | 0 | None | -5 | 3 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL1190547 | 13024 | 0 | None | -5 | 3 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
| CHEMBL541088 | 13024 | 0 | None | -5 | 3 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 217 | 1 | 1 | 5 | 0.4 | Cc1cnc(N2CCNCC2)c2nccn12 | 10.1021/jm00099a012 | ||
| 10207209 | 168660 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| CHEMBL440961 | 168660 | 0 | None | -5 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | ||
| 145966568 | 163487 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 7 | 1 | 4 | 4.6 | COc1ccc2c(c1)c(CCNCc1cc(OC(F)(F)F)ccc1F)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4208846 | 163487 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 7 | 1 | 4 | 4.6 | COc1ccc2c(c1)c(CCNCc1cc(OC(F)(F)F)ccc1F)cn2C | 10.1021/acs.jmedchem.7b01558 | ||
| 10442852 | 11110 | 0 | None | 1 | 2 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL1178755 | 11110 | 0 | None | 1 | 2 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| CHEMBL39706 | 11110 | 0 | None | 1 | 2 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 202 | 6 | 2 | 4 | 1.1 | CCCO/N=C/C(O)CNC(C)(C)C | 10.1021/jm00036a018 | ||
| 127047221 | 139400 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3799593 | 139400 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| 130442572 | 171342 | 0 | None | -181 | 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 | -181 | 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 | ||
| 6603867 | 101524 | 16 | None | -43651 | 7 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL301559 | 101524 | 16 | None | -43651 | 7 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1 | 10.1016/j.bmc.2016.04.028 | ||
| 25023950 | 176378 | 0 | None | - | 1 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 517 | 13 | 8 | 13 | -0.8 | O=CNc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| CHEMBL462273 | 176378 | 0 | None | - | 1 | Golden hamster | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 517 | 13 | 8 | 13 | -0.8 | O=CNc1cc(C(O)CNCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O | 10.1021/jm800613s | ||
| 52943770 | 17185 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257438 | 17185 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 44361777 | 118075 | 0 | None | 3 | 2 | Dog | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 7 | 2 | 7 | 2.3 | COc1ccccc1N1CCN(CC(O)COc2cccc3c2SCC(=O)N3)CC1 | 10.1016/s0960-894x(00)00016-0 | ||
| CHEMBL341614 | 118075 | 0 | None | 3 | 2 | Dog | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 429 | 7 | 2 | 7 | 2.3 | COc1ccccc1N1CCN(CC(O)COc2cccc3c2SCC(=O)N3)CC1 | 10.1016/s0960-894x(00)00016-0 | ||
| 52948792 | 17538 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258596 | 17538 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 24885648 | 16955 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1255596 | 16955 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 46889768 | 6996 | 0 | None | 27 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 2.8 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1085010 | 6996 | 0 | None | 27 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 2.8 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 2299314 | 55806 | 4 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 271 | 8 | 1 | 3 | 3.0 | COCCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL1625333 | 55806 | 4 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 271 | 8 | 1 | 3 | 3.0 | COCCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| 2977358 | 55892 | 3 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 271 | 7 | 2 | 3 | 2.7 | CC(O)CNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL1626224 | 55892 | 3 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 271 | 7 | 2 | 3 | 2.7 | CC(O)CNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| 3146476 | 69468 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 333 | 2 | 0 | 2 | 4.9 | CCN1C(=Cc2sc3ccccc3[n+]2C)C=Cc2cccc(C)c21 | 10.1021/acsmedchemlett.6b00363 | ||
| 5767654 | 69468 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 333 | 2 | 0 | 2 | 4.9 | CCN1C(=Cc2sc3ccccc3[n+]2C)C=Cc2cccc(C)c21 | 10.1021/acsmedchemlett.6b00363 | ||
| 6248042 | 69468 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 333 | 2 | 0 | 2 | 4.9 | CCN1C(=Cc2sc3ccccc3[n+]2C)C=Cc2cccc(C)c21 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL193627 | 69468 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 333 | 2 | 0 | 2 | 4.9 | CCN1C(=Cc2sc3ccccc3[n+]2C)C=Cc2cccc(C)c21 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL584458 | 69468 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 333 | 2 | 0 | 2 | 4.9 | CCN1C(=Cc2sc3ccccc3[n+]2C)C=Cc2cccc(C)c21 | 10.1021/acsmedchemlett.6b00363 | ||
| 6460058 | 155470 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 241 | 6 | 1 | 2 | 3.3 | CCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4062049 | 155470 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 241 | 6 | 1 | 2 | 3.3 | CCNCCOc1ccccc1-c1ccccc1 | 10.1021/acsmedchemlett.6b00363 | ||
| 93382180 | 156739 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 325 | 3 | 1 | 5 | 3.5 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C\c1ccco1)O2 | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4076830 | 156739 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 325 | 3 | 1 | 5 | 3.5 | Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C\c1ccco1)O2 | 10.1021/acsmedchemlett.6b00363 | ||
| 137660459 | 158725 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 337 | 8 | 2 | 6 | 1.9 | CCOC(=O)C1Oc2cccc(OCC(O)CNC(C)C)c2C1C | 10.1021/acsmedchemlett.6b00363 | ||
| CHEMBL4099306 | 158725 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 337 | 8 | 2 | 6 | 1.9 | CCOC(=O)C1Oc2cccc(OCC(O)CNC(C)C)c2C1C | 10.1021/acsmedchemlett.6b00363 | ||
| 913103 | 16284 | 2 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 335 | 8 | 2 | 6 | 2.7 | CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C | 10.1021/jm200371q | ||
| CHEMBL1233771 | 16284 | 2 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 335 | 8 | 2 | 6 | 2.7 | CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C | 10.1021/jm200371q | ||
| 10411388 | 66005 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 448 | 14 | 4 | 5 | 4.2 | O=CNc1cc([C@@H](O)CNCCc2ccc(OCCCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| CHEMBL185052 | 66005 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 448 | 14 | 4 | 5 | 4.2 | O=CNc1cc([C@@H](O)CNCCc2ccc(OCCCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2004.06.086 | ||
| 49864377 | 15454 | 0 | None | 12 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| CHEMBL1221634 | 15454 | 0 | None | 12 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 356 | 4 | 4 | 5 | 3.0 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCc4ccccc43)c2s1 | 10.1016/j.bmcl.2010.06.136 | ||
| 16735261 | 85306 | 0 | None | 47 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228998 | 85306 | 0 | None | 47 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 68770 | 44399 | 49 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | 10.1021/acsmedchemlett.9b00075 | ||
| CHEMBL152067 | 44399 | 49 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | 10.1021/acsmedchemlett.9b00075 | ||
| 14485421 | 202466 | 0 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 12 | 3 | 4 | 5.1 | Cc1ccc(NC(=O)CCCC[C@@H](C)NC[C@H](O)COc2cccc3ccccc23)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL70679 | 202466 | 0 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 12 | 3 | 4 | 5.1 | Cc1ccc(NC(=O)CCCC[C@@H](C)NC[C@H](O)COc2cccc3ccccc23)cc1 | 10.1021/jm00163a036 | ||
| 16735261 | 85306 | 0 | None | 47 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| CHEMBL228998 | 85306 | 0 | None | 47 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 317 | 7 | 4 | 5 | 2.4 | COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 | 10.1016/j.bmc.2013.11.030 | ||
| 155543195 | 172717 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 317 | 9 | 3 | 5 | 2.7 | COc1ccccc1OCCNCCCc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL4525632 | 172717 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 317 | 9 | 3 | 5 | 2.7 | COc1ccccc1OCCNCCCc1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 3042920 | 203299 | 10 | None | 1 | 2 | Bovine | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.8 | Oc1ccc(C2CNCCO2)cc1O | 10.1021/jm00084a006 | ||
| CHEMBL7681 | 203299 | 10 | None | 1 | 2 | Bovine | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 195 | 1 | 3 | 4 | 0.8 | Oc1ccc(C2CNCCO2)cc1O | 10.1021/jm00084a006 | ||
| 13599050 | 96517 | 2 | None | -1 | 2 | Bovine | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 251 | 2 | 3 | 4 | 1.8 | CC(C)N1CCCC(O)(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | ||
| CHEMBL266290 | 96517 | 2 | None | -1 | 2 | Bovine | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 251 | 2 | 3 | 4 | 1.8 | CC(C)N1CCCC(O)(c2ccc(O)c(O)c2)C1 | 10.1021/jm00084a006 | ||
| 14485409 | 202274 | 0 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| CHEMBL69449 | 202274 | 0 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 441 | 13 | 4 | 5 | 3.9 | CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](C)CCCCC(=O)Nc2ccc(C)cc2)cc1 | 10.1021/jm00163a036 | ||
| 16735274 | 159488 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| CHEMBL4108123 | 159488 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 267 | 8 | 4 | 4 | 2.7 | CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | nan | ||
| 44424578 | 165493 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL425658 | 165493 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 24937140 | 17502 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258483 | 17502 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 75201901 | 165872 | 14 | None | -691 | 24 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4277264 | 165872 | 14 | None | -691 | 24 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 44424578 | 165493 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| CHEMBL425658 | 165493 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 253 | 7 | 4 | 4 | 2.3 | CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 | 10.1021/jm070030d | ||
| 24936763 | 17434 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258260 | 17434 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 145977755 | 163000 | 0 | None | - | 1 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 300 | 6 | 2 | 5 | 3.2 | OCC(NCc1ccc(-c2nccs2)cc1)c1ccco1 | 10.1021/acs.jmedchem.7b01558 | ||
| CHEMBL4202968 | 163000 | 0 | None | - | 1 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 300 | 6 | 2 | 5 | 3.2 | OCC(NCc1ccc(-c2nccs2)cc1)c1ccco1 | 10.1021/acs.jmedchem.7b01558 | ||
| 2249 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 255 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 548 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| CHEMBL24 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| DB00335 | 509 | 106 | None | -33 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10.1021/acs.jmedchem.8b00625 | ||
| 137640201 | 156419 | 2 | None | -7585 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156419 | 2 | None | -7585 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 24937016 | 17575 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258706 | 17575 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 1960 | 2815 | 64 | None | -549 | 26 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | ||
| 439260 | 2815 | 64 | None | -549 | 26 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | ||
| 505 | 2815 | 64 | None | -549 | 26 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | ||
| CHEMBL1437 | 2815 | 64 | None | -549 | 26 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | ||
| DB00368 | 2815 | 64 | None | -549 | 26 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2009.10.015 | ||
| 155286359 | 185551 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 255 | 4 | 4 | 4 | 1.4 | Oc1ccc2c(c1O)CC[C@@H](NCCCF)[C@@H]2O | 10.1021/acs.jmedchem.0c01195 | ||
| CHEMBL4871979 | 185551 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 255 | 4 | 4 | 4 | 1.4 | Oc1ccc2c(c1O)CC[C@@H](NCCCF)[C@@H]2O | 10.1021/acs.jmedchem.0c01195 | ||
| 118710938 | 113249 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| CHEMBL3323656 | 113249 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 376 | 5 | 4 | 5 | 3.7 | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@H]3C3CCCCC3)c2s1 | 10.1016/j.bmcl.2014.06.014 | ||
| 127045855 | 139134 | 0 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| CHEMBL3797876 | 139134 | 0 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/acs.jmedchem.9b00349 | ||
| 127045855 | 139134 | 0 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| CHEMBL3797876 | 139134 | 0 | None | 1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 319 | 8 | 4 | 6 | 1.8 | COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 | 10.1016/j.bmc.2016.04.028 | ||
| 2464 | 3583 | 52 | None | - | 6 | Dog | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 5253 | 3583 | 52 | None | - | 6 | Dog | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 7297 | 3583 | 52 | None | - | 6 | Dog | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| CHEMBL471 | 3583 | 52 | None | - | 6 | Dog | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| DB00489 | 3583 | 52 | None | - | 6 | Dog | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 2369 | 615 | 75 | None | - | 8 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 356 | 615 | 75 | None | - | 8 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 549 | 615 | 75 | None | - | 8 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| CHEMBL423 | 615 | 75 | None | - | 8 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| DB00195 | 615 | 75 | None | - | 8 | Bovine | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 137 | 367 | 47 | None | - | 11 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 2119 | 367 | 47 | None | - | 11 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 563 | 367 | 47 | None | - | 11 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 66368 | 367 | 47 | None | - | 11 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| CHEMBL266195 | 367 | 47 | None | - | 11 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| DB00866 | 367 | 47 | None | - | 11 | Bovine | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 11962616 | 219 | 7 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | ||
| 9326 | 219 | 7 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | ||
| CHEMBL3039530 | 219 | 7 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | ||
| DB12100 | 219 | 7 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | ||
| 681 | 1437 | 65 | None | -707 | 38 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 940 | 1437 | 65 | None | -707 | 38 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 947 | 1437 | 65 | None | -707 | 38 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| CHEMBL59 | 1437 | 65 | None | -707 | 38 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| DB00988 | 1437 | 65 | None | -707 | 38 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 3486 | 3108 | 51 | None | -6 | 11 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 4883 | 3108 | 51 | None | -6 | 11 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 555 | 3108 | 51 | None | -6 | 11 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| CHEMBL6995 | 3108 | 51 | None | -6 | 11 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| DB01297 | 3108 | 51 | None | -6 | 11 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 1720 | 2912 | 35 | None | 2 | 2 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| 4086 | 2912 | 35 | None | 2 | 2 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| 7250 | 2912 | 35 | None | 2 | 2 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| CHEMBL776 | 2912 | 35 | None | 2 | 2 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| DB00816 | 2912 | 35 | None | 2 | 2 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| 1054 | 1556 | 49 | None | -6 | 3 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 59768 | 1556 | 49 | None | -6 | 3 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 7178 | 1556 | 49 | None | -6 | 3 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| CHEMBL768 | 1556 | 49 | None | -6 | 3 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| DB00187 | 1556 | 49 | None | -6 | 3 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 295 | 9 | 2 | 5 | 1.5 | COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 2598 | 3719 | 52 | None | 6 | 5 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 5403 | 3719 | 52 | None | 6 | 5 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 560 | 3719 | 52 | None | 6 | 5 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| CHEMBL1760 | 3719 | 52 | None | 6 | 5 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| DB00871 | 3719 | 52 | None | 6 | 5 | Bovine | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 1960 | 2815 | 64 | None | -549 | 26 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 439260 | 2815 | 64 | None | -549 | 26 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 505 | 2815 | 64 | None | -549 | 26 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1437 | 2815 | 64 | None | -549 | 26 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00368 | 2815 | 64 | None | -549 | 26 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 3486 | 3108 | 51 | None | -30 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 4883 | 3108 | 51 | None | -30 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 555 | 3108 | 51 | None | -30 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| CHEMBL6995 | 3108 | 51 | None | -30 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| DB01297 | 3108 | 51 | None | -30 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 2249 | 509 | 106 | None | -33 | 11 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 255 | 509 | 106 | None | -33 | 11 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 548 | 509 | 106 | None | -33 | 11 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| CHEMBL24 | 509 | 106 | None | -33 | 11 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| DB00335 | 509 | 106 | None | -33 | 11 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 6317 | 18323 | 36 | None | - | 1 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 224 | 5 | 2 | 4 | 1.6 | CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1 | None | ||
| CHEMBL127349 | 18323 | 36 | None | - | 1 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 224 | 5 | 2 | 4 | 1.6 | CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1 | None | ||
| 2249 | 509 | 106 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 255 | 509 | 106 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 548 | 509 | 106 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| CHEMBL24 | 509 | 106 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| DB00335 | 509 | 106 | None | -6 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 175540 | 118750 | 45 | None | -1 | 5 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | ||
| CHEMBL343633 | 118750 | 45 | None | -1 | 5 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | ||
| 105 | 3405 | 84 | None | -5 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | None | -5 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | None | -5 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | None | -5 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | None | -5 | 6 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2258 | 3116 | 36 | None | -1 | 2 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | ||
| 42396 | 3116 | 36 | None | -1 | 2 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | ||
| 537 | 3116 | 36 | None | -1 | 2 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | ||
| CHEMBL1160714 | 3116 | 36 | None | -1 | 2 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | ||
| DB13777 | 3116 | 36 | None | -1 | 2 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 225 | 6 | 3 | 4 | 1.1 | O[C@H](COc1ccc(cc1)O)CNC(C)C | None | ||
| 3762 | 14331 | 24 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 5 | 4 | 4 | 1.9 | CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL1201153 | 14331 | 24 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 5 | 4 | 4 | 1.9 | CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL1201213 | 14331 | 24 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 5 | 4 | 4 | 1.9 | CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 | None | ||
| 155774 | 4033 | 33 | None | -5 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | ||
| 2848 | 4033 | 33 | None | -5 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | ||
| 538 | 4033 | 33 | None | -5 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | ||
| CHEMBL75753 | 4033 | 33 | None | -5 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | ||
| DB13781 | 4033 | 33 | None | -5 | 3 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | ||
| 1028 | 287 | 69 | None | -89 | 29 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 287 | 69 | None | -89 | 29 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 287 | 69 | None | -89 | 29 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 287 | 69 | None | -89 | 29 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 287 | 69 | None | -89 | 29 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 287 | 69 | None | -89 | 29 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 2464 | 3583 | 52 | None | 2 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 5253 | 3583 | 52 | None | 2 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 7297 | 3583 | 52 | None | 2 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| CHEMBL471 | 3583 | 52 | None | 2 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| DB00489 | 3583 | 52 | None | 2 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 105 | 3405 | 84 | None | -1 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | None | -1 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | None | -1 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | None | -1 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | None | -1 | 6 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 1720 | 2912 | 35 | None | -2 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| 4086 | 2912 | 35 | None | -2 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| 7250 | 2912 | 35 | None | -2 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| CHEMBL776 | 2912 | 35 | None | -2 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| DB00816 | 2912 | 35 | None | -2 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | None | ||
| 1499 | 2060 | 43 | None | -8 | 17 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | None | -8 | 17 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | None | -8 | 17 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | None | -8 | 17 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | None | -8 | 17 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 1786 | 2484 | 79 | None | -1 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 4171 | 2484 | 79 | None | -1 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 553 | 2484 | 79 | None | -1 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| CHEMBL13 | 2484 | 79 | None | -1 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| DB00264 | 2484 | 79 | None | -1 | 11 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 4930 | 56871 | 45 | None | - | 1 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 229 | 4 | 2 | 2 | 2.9 | CC(C)NCC(O)c1ccc2ccccc2c1 | None | ||
| CHEMBL16476 | 56871 | 45 | None | - | 1 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 229 | 4 | 2 | 2 | 2.9 | CC(C)NCC(O)c1ccc2ccccc2c1 | None | ||
| 5606 | 10098 | 63 | None | - | 1 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | None | ||
| CHEMBL1159717 | 10098 | 63 | None | - | 1 | Bovine | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 227 | 3 | 2 | 2 | 2.8 | CC(C)(C)NCC(O)c1ccccc1Cl | None | ||
| 2369 | 615 | 75 | None | -9 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 356 | 615 | 75 | None | -9 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 549 | 615 | 75 | None | -9 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| CHEMBL423 | 615 | 75 | None | -9 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| DB00195 | 615 | 75 | None | -9 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 2369 | 615 | 75 | None | -7 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 356 | 615 | 75 | None | -7 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 549 | 615 | 75 | None | -7 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| CHEMBL423 | 615 | 75 | None | -7 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| DB00195 | 615 | 75 | None | -7 | 8 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 18047 | 201924 | 18 | None | -4 | 5 | Bovine | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | ||
| CHEMBL67096 | 201924 | 18 | None | -4 | 5 | Bovine | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | ||
| 12582 | 937 | 40 | None | -2 | 5 | Bovine | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| 2783 | 937 | 40 | None | -2 | 5 | Bovine | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| CHEMBL49080 | 937 | 40 | None | -2 | 5 | Bovine | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| DB01407 | 937 | 40 | None | -2 | 5 | Bovine | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| 12582 | 937 | 40 | None | -11 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| 2783 | 937 | 40 | None | -11 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| CHEMBL49080 | 937 | 40 | None | -11 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| DB01407 | 937 | 40 | None | -11 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| 3083544 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 4943 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 7479 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| CHEMBL1363 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| DB01274 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 3083544 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 4943 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 7479 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| CHEMBL1363 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| DB01274 | 462 | 46 | None | -5 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 18047 | 201924 | 18 | None | -2 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | ||
| CHEMBL67096 | 201924 | 18 | None | -2 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 223 | 6 | 2 | 3 | 1.7 | Cc1cccc(OCC(O)CNC(C)C)c1 | None | ||
| 165193 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | None | -4 | 42 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 165193 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | None | -2 | 42 | Bovine | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 33624 | 3761 | 29 | None | -1 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| 4061 | 3761 | 29 | None | -1 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| 565 | 3761 | 29 | None | -1 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| CHEMBL499 | 3761 | 29 | None | -1 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| DB00373 | 3761 | 29 | None | -1 | 9 | Guinea pig | 8.0 | pKd | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| 2687 | 876 | 15 | None | 1 | 5 | Human | 9.8 | pKd | = | 9.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 12237261 | ||
| 532 | 876 | 15 | None | 1 | 5 | Human | 9.8 | pKd | = | 9.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 12237261 | ||
| 5387 | 876 | 15 | None | 1 | 5 | Human | 9.8 | pKd | = | 9.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 12237261 | ||
| CHEMBL420746 | 876 | 15 | None | 1 | 5 | Human | 9.8 | pKd | = | 9.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 12237261 | ||
| 12165 | 898 | 4 | None | 15 | 2 | Human | 11.4 | pKd | = | 11.4 | Binding | Guide to Pharmacology | 764 | 16 | 5 | 12 | 4.7 | O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1 | 35901125 | ||
| 90200922 | 898 | 4 | None | 15 | 2 | Human | 11.4 | pKd | = | 11.4 | Binding | Guide to Pharmacology | 764 | 16 | 5 | 12 | 4.7 | O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1 | 35901125 | ||
| CHEMBL5172865 | 898 | 4 | None | 15 | 2 | Human | 11.4 | pKd | = | 11.4 | Binding | Guide to Pharmacology | 764 | 16 | 5 | 12 | 4.7 | O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1 | 35901125 | ||
| 1720 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 19168263 | ||
| 4086 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 19168263 | ||
| 7250 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 19168263 | ||
| CHEMBL776 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 19168263 | ||
| DB00816 | 2912 | 35 | None | -2 | 2 | Human | 5.3 | pKd | = | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | OC(c1cc(O)cc(c1)O)CNC(C)C | 19168263 | ||
| 165193 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 11.0 | pKi | = | 11 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| None | 214486 | 0 | 125I-Pindolol | 2 | 29 | Human | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| 487 | 781 | 65 | UNDEFINED | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | ||
| 569 | 781 | 65 | UNDEFINED | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | ||
| 71739 | 781 | 65 | UNDEFINED | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | ||
| CHEMBL324665 | 781 | 65 | UNDEFINED | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | ||
| 23968266 | 188817 | 0 | UNDEFINED | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 313 | 5 | 2 | 4 | 3.7 | CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12 | None | ||
| CHEMBL513104 | 188817 | 0 | UNDEFINED | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 313 | 5 | 2 | 4 | 3.7 | CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12 | None | ||
| None | 214486 | 0 | 125I-Pindolol | 2 | 29 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| 3858663 | 176294 | 9 | UNDEFINED | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 455 | 8 | 2 | 4 | 4.6 | Cc1c[nH]c2cccc(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 | None | ||
| CHEMBL461463 | 176294 | 9 | UNDEFINED | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 455 | 8 | 2 | 4 | 4.6 | Cc1c[nH]c2cccc(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 | None | ||
| 2176 | 3077 | 66 | 125I-ICYP | 2 | 26 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 4828 | 3077 | 66 | 125I-ICYP | 2 | 26 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 91 | 3077 | 66 | 125I-ICYP | 2 | 26 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| CHEMBL500 | 3077 | 66 | 125I-ICYP | 2 | 26 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| DB00960 | 3077 | 66 | 125I-ICYP | 2 | 26 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 165193 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2419 | 3407 | 80 | UNDEFINED | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 5152 | 3407 | 80 | UNDEFINED | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 559 | 3407 | 80 | UNDEFINED | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| CHEMBL1263 | 3407 | 80 | UNDEFINED | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| DB00938 | 3407 | 80 | UNDEFINED | 16 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 2176 | 3077 | 66 | UNDEFINED | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 4828 | 3077 | 66 | UNDEFINED | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 91 | 3077 | 66 | UNDEFINED | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| CHEMBL500 | 3077 | 66 | UNDEFINED | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| DB00960 | 3077 | 66 | UNDEFINED | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 165193 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 137 | 367 | 47 | 3H-DHA | 3 | 11 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 2119 | 367 | 47 | 3H-DHA | 3 | 11 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 563 | 367 | 47 | 3H-DHA | 3 | 11 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 66368 | 367 | 47 | 3H-DHA | 3 | 11 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| CHEMBL266195 | 367 | 47 | 3H-DHA | 3 | 11 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| DB00866 | 367 | 47 | 3H-DHA | 3 | 11 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| None | 214424 | 0 | 3H-DHA | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 354 | 8 | 4 | 4 | 3.2 | CC(C)(CC1=CC=C(C=C1)O)NCC(COC2=CC=CC3=C2C=CN3)O | None | ||
| None | 214741 | 0 | 125I-ICYP | -3 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 3682 | 188847 | 7 | 125I-ICYP | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL1256784 | 188847 | 7 | 125I-ICYP | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL513389 | 188847 | 7 | 125I-ICYP | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| 137 | 367 | 47 | 125I-ICYP | 3 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 2119 | 367 | 47 | 125I-ICYP | 3 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 563 | 367 | 47 | 125I-ICYP | 3 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 66368 | 367 | 47 | 125I-ICYP | 3 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| CHEMBL266195 | 367 | 47 | 125I-ICYP | 3 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| DB00866 | 367 | 47 | 125I-ICYP | 3 | 11 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 165193 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 125I-ICYP | 1 | 42 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 3682 | 188847 | 7 | 125I-ICYP | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL1256784 | 188847 | 7 | 125I-ICYP | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL513389 | 188847 | 7 | 125I-ICYP | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| 3682 | 188847 | 7 | 125I-CYP | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL1256784 | 188847 | 7 | 125I-CYP | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL513389 | 188847 | 7 | 125I-CYP | 1 | 8 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| 165193 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 165193 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 125I-CYP | 1 | 42 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 165193 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 125I-ICYP | -4 | 42 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 3682 | 188847 | 7 | UNDEFINED | 1 | 8 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL1256784 | 188847 | 7 | UNDEFINED | 1 | 8 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL513389 | 188847 | 7 | UNDEFINED | 1 | 8 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| None | 214410 | 0 | 125I-ICYP | 8 | 2 | Guinea pig | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C(=C3CCN2)F)O)O | None | ||
| 2585 | 790 | 100 | 125I-CYP | 1 | 22 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 522 | 790 | 100 | 125I-CYP | 1 | 22 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 551 | 790 | 100 | 125I-CYP | 1 | 22 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| CHEMBL723 | 790 | 100 | 125I-CYP | 1 | 22 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| DB01136 | 790 | 100 | 125I-CYP | 1 | 22 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 2176 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 4828 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 91 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| CHEMBL500 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| DB00960 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 137 | 367 | 47 | 125I-CYP | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 2119 | 367 | 47 | 125I-CYP | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 563 | 367 | 47 | 125I-CYP | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 66368 | 367 | 47 | 125I-CYP | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| CHEMBL266195 | 367 | 47 | 125I-CYP | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| DB00866 | 367 | 47 | 125I-CYP | -3 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 3682 | 188847 | 7 | 125I-Pindolol | -3 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL1256784 | 188847 | 7 | 125I-Pindolol | -3 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL513389 | 188847 | 7 | 125I-Pindolol | -3 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| 3682 | 188847 | 7 | 125I-ICYP | -3 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL1256784 | 188847 | 7 | 125I-ICYP | -3 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL513389 | 188847 | 7 | 125I-ICYP | -3 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| 3682 | 188847 | 7 | 125I-ICYP | -3 | 8 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL1256784 | 188847 | 7 | 125I-ICYP | -3 | 8 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| CHEMBL513389 | 188847 | 7 | 125I-ICYP | -3 | 8 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | ||
| 5806 | 102703 | 16 | 3H-DHA | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | None | ||
| CHEMBL30816 | 102703 | 16 | 3H-DHA | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 247 | 4 | 2 | 2 | 3.0 | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 | None | ||
| 202 | 1480 | 0 | UNDEFINED | -9 | 31 | Rat | 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 | Rat | 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 | Rat | 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 | Rat | 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 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 121881 | 3434 | 21 | 125I-CYP | -48977 | 15 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | None | ||
| 256 | 3434 | 21 | 125I-CYP | -48977 | 15 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | None | ||
| CHEMBL68131 | 3434 | 21 | 125I-CYP | -48977 | 15 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 382 | 6 | 1 | 6 | 3.4 | CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N | 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 | ||
| 18922713 | 98046 | 0 | 3H-DHA | -12882 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 298 | 6 | 1 | 2 | 4.0 | CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(c23)C1 | None | ||
| CHEMBL276031 | 98046 | 0 | 3H-DHA | -12882 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 298 | 6 | 1 | 2 | 4.0 | CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(c23)C1 | None | ||
| 5656 | 201377 | 82 | UNDEFINED | -7 | 40 | Rat | 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 | -7 | 40 | Rat | 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 | Rat | 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 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| 104911 | 214249 | 0 | 3H-DHA | -13182 | 36 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
| 3075702 | 215594 | 0 | 3H-CPG-12177 (-) | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
| 5 | 139 | 66 | 3H-DHA | -23442 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 5202 | 139 | 66 | 3H-DHA | -23442 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| CHEMBL39 | 139 | 66 | 3H-DHA | -23442 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| DB08839 | 139 | 66 | 3H-DHA | -23442 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 176 | 2 | 3 | 2 | 1.4 | NCCc1c[nH]c2c1cc(O)cc2 | None | ||
| 1862 | 161 | 14 | UNDEFINED | -10 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | None | ||
| 510 | 161 | 14 | UNDEFINED | -10 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | None | ||
| CHEMBL281232 | 161 | 14 | UNDEFINED | -10 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | None | ||
| 179 | 396 | 107 | 125I-Iodopindolol | -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 | ||
| 179 | 396 | 107 | 3H-DHA | -4365 | 50 | Rat | 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 | 125I-Iodopindolol | -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-DHA | -4365 | 50 | Rat | 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 | 125I-Iodopindolol | -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-DHA | -4365 | 50 | Rat | 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 | 125I-Iodopindolol | -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-DHA | -4365 | 50 | Rat | 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 | 125I-Iodopindolol | -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-DHA | -4365 | 50 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 180 | 397 | 50 | 3H-DHA | -19498 | 38 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 397 | 50 | 3H-DHA | -19498 | 38 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 397 | 50 | 3H-DHA | -19498 | 38 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 397 | 50 | 3H-DHA | -19498 | 38 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 397 | 50 | 3H-DHA | -19498 | 38 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 125564 | 659 | 88 | 3H-DHA | -17378 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| 388 | 659 | 88 | 3H-DHA | -17378 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| 7670 | 659 | 88 | 3H-DHA | -17378 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| CHEMBL178803 | 659 | 88 | 3H-DHA | -17378 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| DB09223 | 659 | 88 | 3H-DHA | -17378 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 3 | 0 | 3 | 4.7 | CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F | None | ||
| 2726 | 906 | 64 | 125I-Pindolol | -5888 | 72 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2726 | 906 | 64 | 3H-DHA | -5888 | 72 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | 125I-Pindolol | -5888 | 72 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | 3H-DHA | -5888 | 72 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | 125I-Pindolol | -5888 | 72 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | 3H-DHA | -5888 | 72 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | 125I-Pindolol | -5888 | 72 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | 3H-DHA | -5888 | 72 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | 125I-Pindolol | -5888 | 72 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | 3H-DHA | -5888 | 72 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 11976 | 907 | 54 | 3H-DHA | -9332 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 907 | 54 | 3H-DHA | -9332 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 907 | 54 | 3H-DHA | -9332 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 907 | 54 | 3H-DHA | -9332 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 135398737 | 944 | 89 | 125I-Pindolol | -190 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | 3H-DHA | -4168 | 91 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 125I-Pindolol | -190 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-DHA | -4168 | 91 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 125I-Pindolol | -190 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-DHA | -4168 | 91 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 125I-Pindolol | -190 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-DHA | -4168 | 91 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 125I-Pindolol | -190 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-DHA | -4168 | 91 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 2147 | 1374 | 16 | 3H-DHA | -53 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 2 | 1 | 1 | 1.6 | C[C@@H](Cc1ccccc1)N | None | ||
| 5826 | 1374 | 16 | 3H-DHA | -53 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 2 | 1 | 1 | 1.6 | C[C@@H](Cc1ccccc1)N | None | ||
| 841 | 1374 | 16 | 3H-DHA | -53 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 2 | 1 | 1 | 1.6 | C[C@@H](Cc1ccccc1)N | None | ||
| CHEMBL612 | 1374 | 16 | 3H-DHA | -53 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 2 | 1 | 1 | 1.6 | C[C@@H](Cc1ccccc1)N | None | ||
| DB01576 | 1374 | 16 | 3H-DHA | -53 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 2 | 1 | 1 | 1.6 | C[C@@H](Cc1ccccc1)N | None | ||
| 681 | 1437 | 65 | 3H-DHA | -707 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 940 | 1437 | 65 | 3H-DHA | -707 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 947 | 1437 | 65 | 3H-DHA | -707 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| CHEMBL59 | 1437 | 65 | 3H-DHA | -707 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| DB00988 | 1437 | 65 | 3H-DHA | -707 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 1209 | 1628 | 69 | 3H-DHA | -1862 | 31 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1628 | 69 | 3H-DHA | -1862 | 31 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1628 | 69 | 3H-DHA | -1862 | 31 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1628 | 69 | 3H-DHA | -1862 | 31 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1628 | 69 | 3H-DHA | -1862 | 31 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 1212 | 1632 | 45 | 125I-Pindolol | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1632 | 45 | 125I-Pindolol | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1632 | 45 | 125I-Pindolol | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1632 | 45 | 125I-Pindolol | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1632 | 45 | 125I-Pindolol | -19952 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 119376 | 1811 | 41 | 125I-CYP | -54954 | 26 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 247 | 1811 | 41 | 125I-CYP | -54954 | 26 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| CHEMBL33884 | 1811 | 41 | 125I-CYP | -54954 | 26 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 1353 | 1880 | 85 | 125I-Pindolol | -446 | 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-DHA | -446 | 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-DHA | -6918 | 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 | 125I-Pindolol | -446 | 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-DHA | -446 | 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-DHA | -6918 | 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 | 125I-Pindolol | -446 | 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-DHA | -446 | 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-DHA | -6918 | 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 | 125I-Pindolol | -446 | 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-DHA | -446 | 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-DHA | -6918 | 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 | 125I-Pindolol | -446 | 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-DHA | -446 | 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-DHA | -6918 | 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 | ||
| 3294 | 1975 | 106 | 3H-CGP-12177 | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1975 | 106 | 3H-CGP-12177 | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1975 | 106 | 3H-CGP-12177 | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1975 | 106 | 3H-CGP-12177 | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1975 | 106 | 3H-CGP-12177 | -14454 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 1427 | 1982 | 50 | 3H-DHA | -977 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 1982 | 50 | 3H-DHA | -977 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 1982 | 50 | 3H-DHA | -977 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 1982 | 50 | 3H-DHA | -977 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 1982 | 50 | 3H-DHA | -977 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 1613 | 2316 | 44 | 125I-Pindolol | -2290 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2316 | 44 | 125I-Pindolol | -2290 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2316 | 44 | 125I-Pindolol | -2290 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2316 | 44 | 125I-Pindolol | -2290 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2316 | 44 | 125I-Pindolol | -2290 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 18971832 | 2385 | 0 | 125I-CYP | -1621 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | None | ||
| 21 | 2385 | 0 | 125I-CYP | -1621 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | None | ||
| CHEMBL3186179 | 2385 | 0 | 125I-CYP | -1621 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 3 | 2 | 2 | 4.0 | CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C | None | ||
| 134 | 2478 | 19 | 125I-Pindolol | -8511 | 67 | Human | 5.0 | pKi | = | 5 | 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 | 125I-Pindolol | -8511 | 67 | Human | 5.0 | pKi | = | 5 | 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 | 125I-Pindolol | -8511 | 67 | Human | 5.0 | pKi | = | 5 | 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 | 125I-Pindolol | -8511 | 67 | Human | 5.0 | pKi | = | 5 | 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 | 125I-Pindolol | -8511 | 67 | Human | 5.0 | pKi | = | 5 | 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 | ||
| 1782 | 2482 | 81 | 3H-DHA | -676 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| 241 | 2482 | 81 | 3H-DHA | -676 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| 4168 | 2482 | 81 | 3H-DHA | -676 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| CHEMBL86 | 2482 | 81 | 3H-DHA | -676 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| DB01233 | 2482 | 81 | 3H-DHA | -676 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 299 | 7 | 2 | 4 | 2.0 | CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC | None | ||
| 1890 | 2718 | 44 | 3H-DHA | -1548 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| 4449 | 2718 | 44 | 3H-DHA | -1548 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| 7247 | 2718 | 44 | 3H-DHA | -1548 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| CHEMBL623 | 2718 | 44 | 3H-DHA | -1548 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| DB01149 | 2718 | 44 | 3H-DHA | -1548 | 15 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | ||
| 484 | 2814 | 45 | 125I-CYP | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 484 | 2814 | 45 | 125I-ICYP | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 484 | 2814 | 45 | 3H-DHA | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 484 | 2814 | 45 | UNDEFINED | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 2814 | 45 | 125I-CYP | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 2814 | 45 | 125I-ICYP | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 2814 | 45 | 3H-DHA | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 2814 | 45 | UNDEFINED | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 2814 | 45 | 125I-CYP | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 2814 | 45 | 125I-ICYP | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 2814 | 45 | 3H-DHA | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 2814 | 45 | UNDEFINED | -31 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 15897 | 2817 | 0 | 125I-Pindolol | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2817 | 0 | 125I-Pindolol | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2817 | 0 | 125I-Pindolol | -354 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 135398745 | 2869 | 108 | 125I-Pindolol | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2869 | 108 | 3H-DHA | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2869 | 108 | UNDEFINED | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 125I-Pindolol | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-DHA | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | UNDEFINED | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 125I-Pindolol | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-DHA | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | UNDEFINED | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 125I-Pindolol | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-DHA | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | UNDEFINED | -331 | 65 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2105 | 3005 | 34 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 47811 | 3005 | 34 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 48 | 3005 | 34 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| CHEMBL531 | 3005 | 34 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| DB01186 | 3005 | 34 | 3H-CGP-12177 | -16218 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | ||
| 2136 | 3046 | 29 | 3H-DHA | -2187 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| 4768 | 3046 | 29 | 3H-DHA | -2187 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| 7268 | 3046 | 29 | 3H-DHA | -2187 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| CHEMBL753 | 3046 | 29 | 3H-DHA | -2187 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| DB00925 | 3046 | 29 | 3H-DHA | -2187 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | None | ||
| 2142 | 3047 | 54 | 3H-DHA | -3801 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 4920903 | 3047 | 54 | 3H-DHA | -3801 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 502 | 3047 | 54 | 3H-DHA | -3801 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 5775 | 3047 | 54 | 3H-DHA | -3801 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| CHEMBL597 | 3047 | 54 | 3H-DHA | -3801 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| DB00692 | 3047 | 54 | 3H-DHA | -3801 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | ||
| 2146 | 3051 | 63 | 3H-DHA | -1445 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 485 | 3051 | 63 | 3H-DHA | -1445 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 6041 | 3051 | 63 | 3H-DHA | -1445 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| CHEMBL1215 | 3051 | 63 | 3H-DHA | -1445 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| DB00388 | 3051 | 63 | 3H-DHA | -1445 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 2202 | 3083 | 91 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 4850 | 3083 | 91 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 49 | 3083 | 91 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL1371770 | 3083 | 91 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| DB12478 | 3083 | 91 | 3H-CGP-12177 | -316 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | ||
| 4508 | 3090 | 91 | 3H-DHA | -1995 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| 4866774 | 3090 | 91 | 3H-DHA | -1995 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| 509 | 3090 | 91 | 3H-DHA | -1995 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| 838 | 3090 | 91 | 3H-DHA | -1995 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1740 | 3090 | 91 | 3H-DHA | -1995 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | ||
| 3486 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 3486 | 3108 | 51 | 125I-ICYP | -436 | 11 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 4883 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 4883 | 3108 | 51 | 125I-ICYP | -436 | 11 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 555 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 555 | 3108 | 51 | 125I-ICYP | -436 | 11 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| CHEMBL6995 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| CHEMBL6995 | 3108 | 51 | 125I-ICYP | -436 | 11 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| DB01297 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| DB01297 | 3108 | 51 | 125I-ICYP | -436 | 11 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 119570 | 3110 | 90 | 125I-Pindolol | -1202 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 119570 | 3110 | 90 | 3H-CGP-12177 | -1202 | 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 | 125I-Pindolol | -1202 | 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-CGP-12177 | -1202 | 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 | 125I-Pindolol | -1202 | 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-CGP-12177 | -1202 | 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 | 125I-Pindolol | -1202 | 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-CGP-12177 | -1202 | 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 | 125I-Pindolol | -1202 | 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-CGP-12177 | -1202 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2284 | 3133 | 27 | 3H-DHA | -4265 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4926 | 3133 | 27 | 3H-DHA | -4265 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 7281 | 3133 | 27 | 3H-DHA | -4265 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| CHEMBL564 | 3133 | 27 | 3H-DHA | -4265 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| DB00420 | 3133 | 27 | 3H-DHA | -4265 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 165193 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 3H-DHA | -22 | 42 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 243 | 3153 | 85 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3052762 | 3153 | 85 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 3502 | 3153 | 85 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| CHEMBL117287 | 3153 | 85 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| DB06480 | 3153 | 85 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | ||
| 2337 | 3205 | 72 | 125I-Pindolol | -72 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 125I-Pindolol | -72 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 125I-Pindolol | -72 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 125I-Pindolol | -72 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 125I-Pindolol | -72 | 62 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2 | 3210 | 19 | 3H-CGP-12177 | -6606 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| 54562 | 3210 | 19 | 3H-CGP-12177 | -6606 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| CHEMBL240773 | 3210 | 19 | 3H-CGP-12177 | -6606 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | ||
| 3033769 | 3229 | 54 | 3H-DHA | -2754 | 18 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 346 | 5 | 2 | 4 | 2.9 | CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl | None | ||
| 3299 | 3229 | 54 | 3H-DHA | -2754 | 18 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 346 | 5 | 2 | 4 | 2.9 | CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl | None | ||
| 94 | 3229 | 54 | 3H-DHA | -2754 | 18 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 346 | 5 | 2 | 4 | 2.9 | CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl | None | ||
| CHEMBL8809 | 3229 | 54 | 3H-DHA | -2754 | 18 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 346 | 5 | 2 | 4 | 2.9 | CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl | None | ||
| DB12518 | 3229 | 54 | 3H-DHA | -2754 | 18 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 346 | 5 | 2 | 4 | 2.9 | CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl | None | ||
| 1562 | 3237 | 22 | 3H-DHA | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 2 | 1 | 1 | 1.6 | C[C@H](Cc1ccccc1)N | None | ||
| 2146 | 3237 | 22 | 3H-DHA | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 2 | 1 | 1 | 1.6 | C[C@H](Cc1ccccc1)N | None | ||
| 32893 | 3237 | 22 | 3H-DHA | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 2 | 1 | 1 | 1.6 | C[C@H](Cc1ccccc1)N | None | ||
| CHEMBL19393 | 3237 | 22 | 3H-DHA | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 2 | 1 | 1 | 1.6 | C[C@H](Cc1ccccc1)N | None | ||
| 2389 | 3279 | 114 | 125I-Pindolol | -1659 | 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 | 125I-Pindolol | -1659 | 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 | 125I-Pindolol | -1659 | 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 | 125I-Pindolol | -1659 | 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 | 125I-Pindolol | -1659 | 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 | ||
| 2402 | 3318 | 58 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 5095 | 3318 | 58 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 7295 | 3318 | 58 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| CHEMBL589 | 3318 | 58 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| DB00268 | 3318 | 58 | 3H-CGP-12177 | -660 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | ||
| 183782 | 3346 | 15 | 3H-CGP-12177 | -2398 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 237 | 3346 | 15 | 3H-CGP-12177 | -2398 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL85251 | 3346 | 15 | 3H-CGP-12177 | -2398 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 128563 | 3408 | 28 | 125I-Pindolol | -2398 | 40 | Rat | 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 | 125I-Pindolol | -2398 | 40 | Rat | 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 | 125I-Pindolol | -2398 | 40 | Rat | 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 | 125I-Pindolol | -2398 | 40 | Rat | 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 | ||
| 2464 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 5253 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 7297 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| CHEMBL471 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| DB00489 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 6917970 | 3635 | 54 | 125I-Pindolol | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 8370 | 3635 | 54 | 125I-Pindolol | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| CHEMBL487387 | 3635 | 54 | 125I-Pindolol | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 1577 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 164512405 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 2537 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 5355 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 5501 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 643497 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 688272 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 958 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 960 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| CHEMBL196677 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| CHEMBL26 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| CHEMBL267044 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| DB00391 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| DB16021 | 3647 | 104 | 3H-DHA | -389 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 6 | 2 | 5 | 0.6 | CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N | None | ||
| 2598 | 3719 | 52 | 125I-CYP | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 2598 | 3719 | 52 | 3H-DHA | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 5403 | 3719 | 52 | 125I-CYP | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 5403 | 3719 | 52 | 3H-DHA | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 560 | 3719 | 52 | 125I-CYP | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 560 | 3719 | 52 | 3H-DHA | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| CHEMBL1760 | 3719 | 52 | 125I-CYP | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| CHEMBL1760 | 3719 | 52 | 3H-DHA | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| DB00871 | 3719 | 52 | 125I-CYP | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| DB00871 | 3719 | 52 | 3H-DHA | -6 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 1267 | 3744 | 43 | 3H-DHA | -4168 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3744 | 43 | 3H-DHA | -4168 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3744 | 43 | 3H-DHA | -4168 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 100 | 3745 | 52 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 100 | 3745 | 52 | 3H-DHA | -4897 | 55 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | 3H-DHA | -4897 | 55 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | 3H-DHA | -4897 | 55 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | 3H-DHA | -4897 | 55 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | 125I-Pindolol | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | 3H-DHA | -4897 | 55 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 213 | 3792 | 50 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | ||
| 185 | 3943 | 54 | 125I-Pindolol | -30902 | 37 | Rat | 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 | 125I-Pindolol | -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 | 125I-Pindolol | -30902 | 37 | Rat | 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 | 125I-Pindolol | -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 | 125I-Pindolol | -30902 | 37 | Rat | 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 | 125I-Pindolol | -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 | 125I-Pindolol | -30902 | 37 | Rat | 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 | 125I-Pindolol | -1318 | 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 | 125I-Pindolol | -1318 | 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 | 125I-Pindolol | -1318 | 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 | 125I-Pindolol | -1318 | 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 | 125I-Pindolol | -1318 | 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 | 125I-Pindolol | -416 | 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 | 125I-Pindolol | -416 | 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 | 125I-Pindolol | -416 | 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 | 125I-Pindolol | -416 | 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 | 125I-Pindolol | -416 | 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 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | ||
| 7028 | 52101 | 21 | 3H-DHA | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CN[C@@H](C)[C@@H](O)c1ccccc1 | None | ||
| CHEMBL1590 | 52101 | 21 | 3H-DHA | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CN[C@@H](C)[C@@H](O)c1ccccc1 | None | ||
| 115237 | 55296 | 113 | 125I-Pindolol | -501 | 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 | 125I-Pindolol | -501 | 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 | ||
| 54477 | 84230 | 34 | 3H-DHA | -138 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | None | ||
| CHEMBL22242 | 84230 | 34 | 3H-DHA | -138 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 6 | 1 | 4 | 2.7 | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC | None | ||
| 21830793 | 91403 | 5 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| CHEMBL2413154 | 91403 | 5 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| 6603820 | 95330 | 13 | 3H-Iodopindolol | -1071 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | None | ||
| CHEMBL25856 | 95330 | 13 | 3H-Iodopindolol | -1071 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 0 | 3 | 3 | 2.6 | Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2 | None | ||
| 104870 | 98423 | 39 | 3H-CGP-12177 | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 5374 | 98423 | 39 | 3H-CGP-12177 | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| CHEMBL279085 | 98423 | 39 | 3H-CGP-12177 | -549 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | ||
| 172745 | 99661 | 7 | UNDEFINED | -70 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | None | ||
| CHEMBL287587 | 99661 | 7 | UNDEFINED | -70 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 187 | 2 | 4 | 4 | 0.2 | NCC(O)c1ccc(O)c(O)c1F | None | ||
| 7172 | 116191 | 90 | 3H-DHA | -19 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | None | ||
| CHEMBL33720 | 116191 | 90 | 3H-DHA | -19 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | None | ||
| 3452843 | 119020 | 13 | 3H-DHA | -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-DHA | -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 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | 125I-Pindolol | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 1615 | 167228 | 22 | 125I-Pindolol | -26 | 44 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167228 | 22 | 125I-Pindolol | -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 | 125I-Pindolol | -26 | 44 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 4543 | 169982 | 36 | 3H-DHA | -1380 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1201156 | 169982 | 36 | 3H-DHA | -1380 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL445 | 169982 | 36 | 3H-DHA | -1380 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| 43815 | 186337 | 58 | 3H-DHA | -1995 | 24 | Rat | 5.0 | pKi | = | 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-DHA | -1995 | 24 | Rat | 5.0 | pKi | = | 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-DHA | -1995 | 24 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 5280343 | 187691 | 119 | 125I-Pindolol | -147 | 32 | Rat | 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 | 125I-Pindolol | -147 | 32 | Rat | 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 | 125I-Pindolol | -147 | 32 | Rat | 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 | ||
| 2771 | 193347 | 67 | 3H-DHA | -120 | 26 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL1200781 | 193347 | 67 | 3H-DHA | -120 | 26 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| CHEMBL549 | 193347 | 67 | 3H-DHA | -120 | 26 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | ||
| 162265 | 200587 | 19 | 125I-Pindolol | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200587 | 19 | 125I-Pindolol | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200587 | 19 | 125I-Pindolol | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 5281600 | 201336 | 85 | 125I-Pindolol | -275 | 33 | Rat | 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 | 125I-Pindolol | -275 | 33 | Rat | 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 | ||
| 1973 | 201790 | 12 | 3H-CGP-12177 | -3 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 201790 | 12 | 3H-CGP-12177 | -3 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 201790 | 12 | 3H-CGP-12177 | -3 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| 4976 | 201885 | 27 | 3H-DHA | -1548 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| CHEMBL668 | 201885 | 27 | 3H-DHA | -1548 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| 2995 | 202700 | 49 | 3H-DHA | -1412 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 202700 | 49 | 3H-DHA | -1412 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 202700 | 49 | 3H-DHA | -1412 | 22 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 202478 | 202981 | 15 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | 125I-Pindolol | -194 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
| 4054 | 203790 | 64 | 3H-PL17 | -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-PL17 | -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-PL17 | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 68617 | 203816 | 60 | 3H-DHA | -1445 | 25 | Rat | 5.0 | pKi | = | 5 | 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-DHA | -1445 | 25 | Rat | 5.0 | pKi | = | 5 | 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-DHA | -1445 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 5324346 | 203870 | 53 | 3H-DHA | -1 | 9 | Rat | 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-DHA | -1 | 9 | Rat | 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-DHA | -1 | 9 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 9 | 1 | 4 | 3.2 | COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 | None | ||
| 11954224 | 214174 | 0 | 125I-Pindolol | -3388 | 59 | Human | 5.0 | pKi | = | 5 | 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 | ||
| 11954224 | 214174 | 0 | 3H-DHA | -3388 | 59 | Human | 5.0 | pKi | = | 5 | 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 | ||
| 25058166 | 214181 | 0 | 3H-CGP-12177 | -5011 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 6852389 | 214181 | 0 | 3H-CGP-12177 | -5011 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | ||
| 3246155 | 214183 | 0 | 3H-DHA | -43651 | 16 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 307 | 4 | 0 | 2 | 4.4 | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| 11954259 | 214201 | 0 | 125I-Pindolol | -33113 | 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 | ||
| 11954259 | 214201 | 0 | 3H-DHA | -33113 | 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 | ||
| 44134711 | 214215 | 0 | 3H-DHA | -112201 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 340 | 6 | 2 | 4 | 2.8 | CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Cl | None | ||
| 21722 | 214239 | 0 | 3H-DHA | -120 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCN1C2=C(CCCCCC2)C3=CC=CC=C31 | None | ||
| 444 | 214245 | 0 | 3H-DHA | -2089 | 17 | Rat | 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 | ||
| 104911 | 214249 | 0 | 125I-Pindolol | -13182 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
| None | 214256 | 0 | 3H-CGP-12177 | -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 | ||
| 6102 | 214271 | 0 | 3H-DHA | -6 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNCC(C1=CC(=CC=C1)O)O | None | ||
| None | 214358 | 0 | 3H-DHA | -1 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 164 | 3 | 1 | 3 | 0.8 | C1CNC1COC2=CN=CC=C2 | None | ||
| 119380 | 214359 | 0 | 3H-DHA | 1 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 166 | 1 | 0 | 3 | 1.8 | CC1=NOC(=C1)C2CCCN2C | None | ||
| 16219195 | 214362 | 0 | 3H-DHA | -12 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 325 | 1 | 1 | 5 | 2.9 | CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3 | None | ||
| 3947 | 214378 | 0 | 3H-DHA | -1479 | 15 | Rat | 5.0 | pKi | = | 5 | 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 | ||
| None | 214409 | 0 | 125I-ICYP | -2 | 4 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 5 | 3 | 5 | -1.5 | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CC[NH2+]2)O)O.[Cl-] | None | ||
| None | 214409 | 0 | 125I-ICYP | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 5 | 3 | 5 | -1.5 | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CC[NH2+]2)O)O.[Cl-] | None | ||
| None | 214417 | 0 | 3H-DHA | -1258 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 408 | 7 | 2 | 4 | 3.9 | CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C.C(=CC(=O)O)C(=O)O | None | ||
| 25137849 | 214425 | 0 | 125I-Pindolol | -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 | ||
| 25137849 | 214425 | 0 | 3H-DHA | -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 | 125I-Pindolol | -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-DHA | -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 | 214426 | 0 | 3H-DHA | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 294 | 5 | 3 | 4 | 1.1 | CC(C(C1=CC=C(C=C1)NS(=O)(=O)C)O)NC.Cl | None | ||
| 3337 | 214441 | 0 | 125I-Pindolol | -199 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | 125I-Pindolol | -199 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | 125I-Pindolol | -199 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | 125I-Pindolol | -199 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| None | 214497 | 0 | 3H-DHA | -501 | 3 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 468 | 12 | 0 | 9 | -0.1 | C1COCCN1CCCN2CN(CN(C2)CCCN3CCOCC3)CCCN4CCOCC4 | None | ||
| None | 214498 | 0 | 3H-DHA | -1258 | 3 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 434 | 6 | 4 | 8 | 2.2 | CC(C)O.COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O | None | ||
| None | 214499 | 0 | 3H-DHA | -3981 | 3 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 234 | 2 | 1 | 3 | 2.0 | CC(=O)NC1=C(C(=C(C=C1F)F)F)[N+](=O)[O-] | None | ||
| None | 214500 | 0 | 3H-DHA | -4677 | 3 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 0 | 1 | 2 | 4.0 | CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)(C#C)O | None | ||
| None | 214501 | 0 | 3H-DHA | -6025 | 3 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 5 | 1 | 3 | 4.5 | CCCC1=CC2=C(C=C1NC(=O)C3C(C3(C)C)C=C(C)C)OCO2 | None | ||
| None | 214502 | 0 | 3H-DHA | -8317 | 18 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 4 | 2.8 | C1=CC(=CC=C1CCNC(N)SCCCC2=CN=CN2)I | None | ||
| None | 214560 | 0 | 125I-Pindolol | -1 | 33 | Rat | 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 | 125I-Pindolol | -1 | 33 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
| None | 214562 | 0 | 125I-Pindolol | -1 | 33 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
| None | 214563 | 0 | 125I-Pindolol | -1 | 33 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
| None | 214564 | 0 | 125I-Pindolol | -1 | 28 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
| None | 214565 | 0 | 125I-Pindolol | -1 | 39 | Rat | 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 | 125I-Pindolol | -1 | 38 | Rat | 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 | 125I-Pindolol | -1 | 29 | Rat | 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 | 125I-Pindolol | -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 | 125I-Pindolol | -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 | 125I-Pindolol | -16 | 28 | Rat | 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 | 125I-Pindolol | -16 | 28 | Rat | 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 | 125I-Pindolol | -3 | 28 | Rat | 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 | 125I-Pindolol | -281 | 28 | Rat | 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 | 125I-Pindolol | -1 | 28 | Rat | 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 | ||
| None | 214590 | 0 | 3H-CGP-12177 | -13182 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | ||
| None | 214591 | 0 | 3H-CGP-12177 | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | ||
| None | 214638 | 0 | 3H-DHA | -1 | 2 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 313 | 5 | 1 | 3 | 3.5 | CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O.Cl | None | ||
| None | 214703 | 0 | Functional | -660 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| None | 214703 | 0 | UNDEFINED | -660 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| None | 214747 | 0 | 125I-Pindolol | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | ||
| None | 214752 | 0 | 3H-DHA | -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 | 215932 | 0 | UNDEFINED | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 568 | 9 | 7 | 9 | 0.7 | CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)CC | None | ||
| 1499 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 1028 | 287 | 69 | 3H-DHA | -89 | 29 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 287 | 69 | 3H-DHA | -89 | 29 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 287 | 69 | 3H-DHA | -89 | 29 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 287 | 69 | 3H-DHA | -89 | 29 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 287 | 69 | 3H-DHA | -89 | 29 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 287 | 69 | 3H-DHA | -89 | 29 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| None | 215927 | 0 | UNDEFINED | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 448 | 10 | 4 | 4 | 4.7 | CCCCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CCCC | None | ||
| 2405 | 658 | 71 | 125I-CYP | -58 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| 380 | 658 | 71 | 125I-CYP | -58 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| 7129 | 658 | 71 | 125I-CYP | -58 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| CHEMBL645 | 658 | 71 | 125I-CYP | -58 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| DB00612 | 658 | 71 | 125I-CYP | -58 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| None | 215928 | 0 | UNDEFINED | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 420 | 8 | 4 | 4 | 3.9 | CCCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CCC | None | ||
| 128658 | 33753 | 7 | 125I-ICYP | -3 | 5 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | ||
| CHEMBL142428 | 33753 | 7 | 125I-ICYP | -3 | 5 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | ||
| 1499 | 2060 | 43 | 3H-CGP-12177 | -33 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | 3H-CGP-12177 | -33 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | 3H-CGP-12177 | -33 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | 3H-CGP-12177 | -33 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | 3H-CGP-12177 | -33 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 71149 | 214651 | 0 | 125I-CYP | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 262 | 3 | 2 | 4 | 1.9 | CC(C)(C)NCC(C1=CC(=NO1)Br)O | None | ||
| 123707 | 214742 | 0 | 125I-ICYP | -3 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 6 | 1.8 | CC1=C(C=C(C=C1)C(CNCCOC2=CC=CC=C2OC)O)S(=O)(=O)N.Cl | None | ||
| 123686 | 1950 | 44 | 125I-ICYP | -109 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | None | ||
| 12581 | 1950 | 44 | 125I-ICYP | -109 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | None | ||
| CHEMBL11268 | 1950 | 44 | 125I-ICYP | -109 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | None | ||
| 1499 | 2060 | 43 | 125I-ICYP | -33 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | 125I-ICYP | -33 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | 125I-ICYP | -33 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | 125I-ICYP | -33 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | 125I-ICYP | -33 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 242 | 467 | 117 | 125I-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 242 | 467 | 117 | 3H-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 125I-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 125I-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 125I-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 125I-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-Pindolol | -23 | 51 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 135398737 | 944 | 89 | 125I-ICYP | -190 | 91 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 125I-ICYP | -190 | 91 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 125I-ICYP | -190 | 91 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 125I-ICYP | -190 | 91 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 125I-ICYP | -190 | 91 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1786 | 2484 | 79 | 125I-ICYP | -89 | 11 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 4171 | 2484 | 79 | 125I-ICYP | -89 | 11 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 553 | 2484 | 79 | 125I-ICYP | -89 | 11 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| CHEMBL13 | 2484 | 79 | 125I-ICYP | -89 | 11 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| DB00264 | 2484 | 79 | 125I-ICYP | -89 | 11 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 137 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 2119 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 563 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 66368 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| CHEMBL266195 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| DB00866 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 10455 | 3230 | 34 | UNDEFINED | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | None | ||
| 56052 | 3230 | 34 | UNDEFINED | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | None | ||
| CHEMBL509336 | 3230 | 34 | UNDEFINED | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | None | ||
| DB11541 | 3230 | 34 | UNDEFINED | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | None | ||
| 193350 | 67320 | 7 | 3H-DHA | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL1902287 | 67320 | 7 | 3H-DHA | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL1906949 | 67320 | 7 | 3H-DHA | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(O)c1 | None | ||
| 105 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2601 | 3721 | 30 | 3H-CGP-12177 | -14 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 443951 | 3721 | 30 | 3H-CGP-12177 | -14 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 56 | 3721 | 30 | 3H-CGP-12177 | -14 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL73151 | 3721 | 30 | 3H-CGP-12177 | -14 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB13399 | 3721 | 30 | 3H-CGP-12177 | -14 | 21 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 2464 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 5253 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 7297 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| CHEMBL471 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| DB00489 | 3583 | 52 | 3H-DHA | -7 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 1028 | 287 | 69 | 3H-CGP-12177 | -89 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 287 | 69 | 3H-CGP-12177 | -89 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 287 | 69 | 3H-CGP-12177 | -89 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 287 | 69 | 3H-CGP-12177 | -89 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 287 | 69 | 3H-CGP-12177 | -89 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 287 | 69 | 3H-CGP-12177 | -89 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 165193 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 137 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 2119 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 563 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 66368 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| CHEMBL266195 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| DB00866 | 367 | 47 | 3H-DHA | -3 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | ||
| 165193 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 125I-ICYP | -22 | 42 | Rat | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 43216 | 10101 | 7 | 3H-DHA | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 251 | 8 | 2 | 3 | 2.4 | CCCc1ccccc1OCC(O)CNC(C)C | None | ||
| CHEMBL1159723 | 10101 | 7 | 3H-DHA | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 251 | 8 | 2 | 3 | 2.4 | CCCc1ccccc1OCC(O)CNC(C)C | None | ||
| 2176 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 4828 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 91 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| CHEMBL500 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| DB00960 | 3077 | 66 | 125I-ICYP | -5 | 26 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 2369 | 615 | 75 | 125I-ICYP | -724 | 8 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 356 | 615 | 75 | 125I-ICYP | -724 | 8 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 549 | 615 | 75 | 125I-ICYP | -724 | 8 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| CHEMBL423 | 615 | 75 | 125I-ICYP | -724 | 8 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| DB00195 | 615 | 75 | 125I-ICYP | -724 | 8 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 5581 | 101188 | 10 | 125I-ICYP | -1 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| CHEMBL299175 | 101188 | 10 | 125I-ICYP | -1 | 7 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| 105 | 3405 | 84 | 125I-CYP | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | 125I-CYP | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | 125I-CYP | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | 125I-CYP | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | 125I-CYP | -10 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| None | 215931 | 0 | UNDEFINED | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 336 | 4 | 4 | 4 | 2.0 | C1C(CC2=CC=CC=C21)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O | None | ||
| 3083544 | 462 | 46 | UNDEFINED | -5 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 4943 | 462 | 46 | UNDEFINED | -5 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 7479 | 462 | 46 | UNDEFINED | -5 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| CHEMBL1363 | 462 | 46 | UNDEFINED | -5 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| DB01274 | 462 | 46 | UNDEFINED | -5 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 4292932 | 169657 | 1 | UNDEFINED | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 319 | 7 | 4 | 4 | 1.3 | CC(C)(C)NCC(O)COc1cccc2[nH]cc(CC(N)=O)c12 | None | ||
| CHEMBL444553 | 169657 | 1 | UNDEFINED | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 319 | 7 | 4 | 4 | 1.3 | CC(C)(C)NCC(O)COc1cccc2[nH]cc(CC(N)=O)c12 | None | ||
| 103 | 4089 | 56 | 125I-ICYP | -416 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | 125I-ICYP | -416 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | 125I-ICYP | -416 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | 125I-ICYP | -416 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | 125I-ICYP | -416 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 105 | 3405 | 84 | 125I-ICYP | -5 | 6 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | 125I-ICYP | -5 | 6 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | 125I-ICYP | -5 | 6 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | 125I-ICYP | -5 | 6 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | 125I-ICYP | -5 | 6 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2419 | 3407 | 80 | 125I-CYP | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 5152 | 3407 | 80 | 125I-CYP | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 559 | 3407 | 80 | 125I-CYP | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| CHEMBL1263 | 3407 | 80 | 125I-CYP | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| DB00938 | 3407 | 80 | 125I-CYP | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 2419 | 3407 | 80 | 3H-CGP-12177 | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 5152 | 3407 | 80 | 3H-CGP-12177 | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 559 | 3407 | 80 | 3H-CGP-12177 | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| CHEMBL1263 | 3407 | 80 | 3H-CGP-12177 | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| DB00938 | 3407 | 80 | 3H-CGP-12177 | 16 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 7153 | 97570 | 74 | 3H-DHA | -154 | 33 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97570 | 74 | 3H-DHA | -154 | 33 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 2598 | 3719 | 52 | 3H-CGP-12177 | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 5403 | 3719 | 52 | 3H-CGP-12177 | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 560 | 3719 | 52 | 3H-CGP-12177 | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| CHEMBL1760 | 3719 | 52 | 3H-CGP-12177 | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| DB00871 | 3719 | 52 | 3H-CGP-12177 | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 3083544 | 462 | 46 | 125I-CYP | -5 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 4943 | 462 | 46 | 125I-CYP | -5 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 7479 | 462 | 46 | 125I-CYP | -5 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| CHEMBL1363 | 462 | 46 | 125I-CYP | -5 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| DB01274 | 462 | 46 | 125I-CYP | -5 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 3663 | 99505 | 79 | 125I-Pindolol | -75 | 29 | Rat | 5.6 | pKi | = | 5.6 | 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 | 125I-Pindolol | -75 | 29 | Rat | 5.6 | pKi | = | 5.6 | 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 | ||
| 5581 | 101188 | 10 | 125I-ICYP | 1 | 7 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| CHEMBL299175 | 101188 | 10 | 125I-ICYP | 1 | 7 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| 105 | 3405 | 84 | 3H-DHA | -10 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | 3H-DHA | -10 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | 3H-DHA | -10 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | 3H-DHA | -10 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | 3H-DHA | -10 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 1499 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 2249 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 255 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 548 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| CHEMBL24 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| DB00335 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 2249 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 255 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 548 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| CHEMBL24 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| DB00335 | 509 | 106 | 125I-ICYP | -83 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 123686 | 1950 | 44 | 125I-Pindolol | -3090 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | None | ||
| 12581 | 1950 | 44 | 125I-Pindolol | -3090 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | None | ||
| CHEMBL11268 | 1950 | 44 | 125I-Pindolol | -3090 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | None | ||
| 173 | 3211 | 88 | 3H-DHA | -33 | 22 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 5011 | 3211 | 88 | 3H-DHA | -33 | 22 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| CHEMBL18772 | 3211 | 88 | 3H-DHA | -33 | 22 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 213 | 1 | 1 | 3 | 1.6 | N1CCN(CC1)c1ccc2c(n1)cccc2 | None | ||
| 1786 | 2484 | 79 | 125I-CYP | -25 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 4171 | 2484 | 79 | 125I-CYP | -25 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 553 | 2484 | 79 | 125I-CYP | -25 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| CHEMBL13 | 2484 | 79 | 125I-CYP | -25 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| DB00264 | 2484 | 79 | 125I-CYP | -25 | 11 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| None | 215924 | 0 | UNDEFINED | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 368 | 7 | 4 | 5 | 2.5 | CC(CC1=CC=C(C=C1)OC)NCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O | None | ||
| 124433 | 150899 | 10 | UNDEFINED | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 288 | 6 | 3 | 3 | 2.8 | OC(CNC1CCCCC1)COc1cccc2[nH]ccc12 | None | ||
| CHEMBL396185 | 150899 | 10 | UNDEFINED | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 288 | 6 | 3 | 3 | 2.8 | OC(CNC1CCCCC1)COc1cccc2[nH]ccc12 | None | ||
| 484 | 2814 | 45 | 3H-CGP-12177 | -31 | 35 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 2814 | 45 | 3H-CGP-12177 | -31 | 35 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 2814 | 45 | 3H-CGP-12177 | -31 | 35 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 9992825 | 83951 | 16 | UNDEFINED | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | None | ||
| CHEMBL2218907 | 83951 | 16 | UNDEFINED | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | None | ||
| 1499 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | 125I-ICYP | -9 | 17 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 2464 | 3583 | 52 | 125I-ICYP | -5 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 5253 | 3583 | 52 | 125I-ICYP | -5 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 7297 | 3583 | 52 | 125I-ICYP | -5 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| CHEMBL471 | 3583 | 52 | 125I-ICYP | -5 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| DB00489 | 3583 | 52 | 125I-ICYP | -5 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 12016890 | 190182 | 4 | 3H-DHA | -575 | 10 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 318 | 4 | 1 | 3 | 2.6 | NC(=O)c1ccc(F)c2c1CC(N(C1CCC1)C1CCC1)CO2 | None | ||
| CHEMBL5183389 | 190182 | 4 | 3H-DHA | -575 | 10 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 318 | 4 | 1 | 3 | 2.6 | NC(=O)c1ccc(F)c2c1CC(N(C1CCC1)C1CCC1)CO2 | None | ||
| None | 215926 | 0 | UNDEFINED | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 396 | 6 | 4 | 6 | 2.0 | COC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)OC | None | ||
| 1028 | 287 | 69 | 125I-ICYP | -89 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 287 | 69 | 125I-ICYP | -89 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 287 | 69 | 125I-ICYP | -89 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 287 | 69 | 125I-ICYP | -89 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 287 | 69 | 125I-ICYP | -89 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 287 | 69 | 125I-ICYP | -89 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 7153 | 97570 | 74 | 125I-Pindolol | -154 | 33 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| CHEMBL272942 | 97570 | 74 | 125I-Pindolol | -154 | 33 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | ||
| 5581 | 101188 | 10 | 125I-ICYP | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| CHEMBL299175 | 101188 | 10 | 125I-ICYP | -1 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| 119570 | 3110 | 90 | None | -1202 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3110 | 90 | None | -1202 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3110 | 90 | None | -1202 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3110 | 90 | None | -1202 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3110 | 90 | None | -1202 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 681 | 1437 | 65 | None | -93 | 38 | Dog | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 940 | 1437 | 65 | None | -93 | 38 | Dog | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 947 | 1437 | 65 | None | -93 | 38 | Dog | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| CHEMBL59 | 1437 | 65 | None | -93 | 38 | Dog | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| DB00988 | 1437 | 65 | None | -93 | 38 | Dog | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 2687 | 876 | 15 | 125I-CYP | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | ||
| 532 | 876 | 15 | 125I-CYP | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | ||
| 5387 | 876 | 15 | 125I-CYP | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | ||
| CHEMBL420746 | 876 | 15 | 125I-CYP | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | ||
| 2176 | 3077 | 66 | 125I-CYP | -2 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 4828 | 3077 | 66 | 125I-CYP | -2 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 91 | 3077 | 66 | 125I-CYP | -2 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| CHEMBL500 | 3077 | 66 | 125I-CYP | -2 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| DB00960 | 3077 | 66 | 125I-CYP | -2 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 104903 | 56050 | 14 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
| CHEMBL1630578 | 56050 | 14 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
| 3486 | 3108 | 51 | None | -5 | 11 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 4883 | 3108 | 51 | None | -5 | 11 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 555 | 3108 | 51 | None | -5 | 11 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| CHEMBL6995 | 3108 | 51 | None | -5 | 11 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| DB01297 | 3108 | 51 | None | -5 | 11 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 165193 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | 3H-DHA | 1 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2685 | 877 | 15 | 125I-CYP | -1096 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | None | ||
| 541 | 877 | 15 | 125I-CYP | -1096 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | None | ||
| CHEMBL280822 | 877 | 15 | 125I-CYP | -1096 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | None | ||
| 21138 | 97999 | 34 | 125I-ICYP | 1 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | None | ||
| CHEMBL275742 | 97999 | 34 | 125I-ICYP | 1 | 7 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | None | ||
| 1499 | 2060 | 43 | 125I-CYP | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | 125I-CYP | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | 125I-CYP | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | 125I-CYP | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | 125I-CYP | -33 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 1499 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | 3H-DHA | -33 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3466 | 4078 | 38 | 3H-DHA | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 378 | 8 | 4 | 5 | 2.4 | OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C | None | ||
| 37990 | 4078 | 38 | 3H-DHA | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 378 | 8 | 4 | 5 | 2.4 | OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C | None | ||
| CHEMBL1243407 | 4078 | 38 | 3H-DHA | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 378 | 8 | 4 | 5 | 2.4 | OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C | None | ||
| 688390 | 214743 | 0 | 125I-ICYP | 7 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 267 | 5 | 2 | 4 | 2.5 | C[C@H]([C@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C | None | ||
| 688390 | 214743 | 0 | 125I-ICYP | 7 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 267 | 5 | 2 | 4 | 2.5 | C[C@H]([C@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C | None | ||
| 135409468 | 2004 | 63 | 125I-Pindolol | -1659 | 40 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 2004 | 63 | 125I-Pindolol | -1659 | 40 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 2004 | 63 | 125I-Pindolol | -1659 | 40 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 1155 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 3343 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 557 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| CHEMBL32800 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| DB01288 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 175540 | 118750 | 45 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | ||
| CHEMBL343633 | 118750 | 45 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 266 | 8 | 3 | 4 | 0.5 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | None | ||
| 1960 | 2815 | 64 | None | -36 | 26 | Bovine | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 439260 | 2815 | 64 | None | -36 | 26 | Bovine | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 505 | 2815 | 64 | None | -36 | 26 | Bovine | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1437 | 2815 | 64 | None | -36 | 26 | Bovine | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00368 | 2815 | 64 | None | -36 | 26 | Bovine | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 1960 | 2815 | 64 | None | -338 | 26 | Dog | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 439260 | 2815 | 64 | None | -338 | 26 | Dog | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 505 | 2815 | 64 | None | -338 | 26 | Dog | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1437 | 2815 | 64 | None | -338 | 26 | Dog | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00368 | 2815 | 64 | None | -338 | 26 | Dog | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 1960 | 2815 | 64 | None | -30 | 26 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 439260 | 2815 | 64 | None | -30 | 26 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 505 | 2815 | 64 | None | -30 | 26 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL1437 | 2815 | 64 | None | -30 | 26 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00368 | 2815 | 64 | None | -30 | 26 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 123600 | 2285 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | None | ||
| 1575 | 2285 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | None | ||
| 9816 | 2285 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | None | ||
| CHEMBL1002 | 2285 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | None | ||
| DB13139 | 2285 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | None | ||
| 1024 | 1541 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | None | ||
| 556 | 1541 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | None | ||
| 9294 | 1541 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | None | ||
| CHEMBL211456 | 1541 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | None | ||
| DB01364 | 1541 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | None | ||
| 2598 | 3719 | 52 | None | -6 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 5403 | 3719 | 52 | None | -6 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 560 | 3719 | 52 | None | -6 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| CHEMBL1760 | 3719 | 52 | None | -6 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| DB00871 | 3719 | 52 | None | -6 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | ||
| 1836 | 2554 | 56 | None | -53 | 15 | Human | 8.3 | pKi | = | 8.3 | 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 | -53 | 15 | Human | 8.3 | pKi | = | 8.3 | 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 | -53 | 15 | Human | 8.3 | pKi | = | 8.3 | 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 | -53 | 15 | Human | 8.3 | pKi | = | 8.3 | 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 | -53 | 15 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
| 103 | 4089 | 56 | None | -416 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | None | -416 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | None | -416 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | None | -416 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | None | -416 | 53 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1599 | 2309 | 47 | None | -131 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 3955 | 2309 | 47 | None | -131 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 7215 | 2309 | 47 | None | -131 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL841 | 2309 | 47 | None | -131 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| DB00836 | 2309 | 47 | None | -131 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 3157 | 1442 | 69 | None | -97 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 7170 | 1442 | 69 | None | -97 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 954 | 1442 | 69 | None | -97 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| CHEMBL707 | 1442 | 69 | None | -97 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| DB00590 | 1442 | 69 | None | -97 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | ||
| 11954224 | 214174 | 0 | None | -3388 | 59 | Human | 8.2 | pKi | = | 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 | ||
| 2810 | 67260 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | None | ||
| CHEMBL1902627 | 67260 | 50 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 213 | 4 | 2 | 2 | 2.4 | CC(C)NCC(O)c1ccccc1Cl | None | ||
| 2405 | 658 | 71 | None | -58 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| 380 | 658 | 71 | None | -58 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| 7129 | 658 | 71 | None | -58 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| CHEMBL645 | 658 | 71 | None | -58 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| DB00612 | 658 | 71 | None | -58 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 1353 | 1880 | 85 | 125I-ICYP | -446 | 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 | 125I-ICYP | -446 | 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 | 125I-ICYP | -446 | 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 | 125I-ICYP | -446 | 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 | 125I-ICYP | -446 | 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 | ||
| 135398745 | 2869 | 108 | 125I-ICYP | -331 | 65 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 125I-ICYP | -331 | 65 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 125I-ICYP | -331 | 65 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 125I-ICYP | -331 | 65 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2181 | 3079 | 0 | 125I-ICYP | -25 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 4830 | 3079 | 0 | 125I-ICYP | -25 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 92 | 3079 | 0 | 125I-ICYP | -25 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| CHEMBL440294 | 3079 | 0 | 125I-ICYP | -25 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| DB09286 | 3079 | 0 | 125I-ICYP | -25 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 2337 | 3205 | 72 | 125I-ICYP | -72 | 62 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 125I-ICYP | -72 | 62 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 125I-ICYP | -72 | 62 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 125I-ICYP | -72 | 62 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 125I-ICYP | -72 | 62 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2389 | 3279 | 114 | 125I-ICYP | -1659 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | 125I-ICYP | -1659 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | 125I-ICYP | -1659 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | 125I-ICYP | -1659 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | 125I-ICYP | -1659 | 67 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 2435 | 3533 | 78 | 125I-ICYP | -316 | 48 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 3533 | 78 | 125I-ICYP | -316 | 48 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 3533 | 78 | 125I-ICYP | -316 | 48 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 3533 | 78 | 125I-ICYP | -316 | 48 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 3533 | 78 | 125I-ICYP | -316 | 48 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 2865 | 4079 | 67 | 125I-ICYP | -1318 | 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 | 125I-ICYP | -1318 | 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 | 125I-ICYP | -1318 | 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 | 125I-ICYP | -1318 | 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 | 125I-ICYP | -1318 | 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 | ||
| 115237 | 55296 | 113 | 125I-ICYP | -501 | 54 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55296 | 113 | 125I-ICYP | -501 | 54 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 46780481 | 107045 | 18 | 125I-ICYP | -954 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107045 | 18 | 125I-ICYP | -954 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107045 | 18 | 125I-ICYP | -954 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107045 | 18 | 125I-ICYP | -954 | 53 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 105 | 3405 | 84 | 3H-CGP-12177 | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | 3H-CGP-12177 | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | 3H-CGP-12177 | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | 3H-CGP-12177 | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | 3H-CGP-12177 | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 1222 | 1634 | 44 | 125I-ICYP | -95 | 32 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3396 | 1634 | 44 | 125I-ICYP | -95 | 32 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 85 | 1634 | 44 | 125I-ICYP | -95 | 32 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL46516 | 1634 | 44 | 125I-ICYP | -95 | 32 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| DB04842 | 1634 | 44 | 125I-ICYP | -95 | 32 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 105 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | UNDEFINED | -10 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 1155 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 3343 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 557 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| CHEMBL32800 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| DB01288 | 1599 | 45 | 125I-ICYP | -2 | 5 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| None | 215930 | 0 | UNDEFINED | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 364 | 4 | 4 | 4 | 2.6 | CC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)C | None | ||
| 5190 | 106422 | 31 | UNDEFINED | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 466 | 8 | 2 | 5 | 4.2 | N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1 | None | ||
| CHEMBL314639 | 106422 | 31 | UNDEFINED | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 466 | 8 | 2 | 5 | 4.2 | N#Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1 | None | ||
| 128658 | 33753 | 7 | 125I-ICYP | -3 | 5 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | ||
| CHEMBL142428 | 33753 | 7 | 125I-ICYP | -3 | 5 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | ||
| 12582 | 937 | 40 | UNDEFINED | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| 2783 | 937 | 40 | UNDEFINED | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| CHEMBL49080 | 937 | 40 | UNDEFINED | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| DB01407 | 937 | 40 | UNDEFINED | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 276 | 3 | 3 | 3 | 3.0 | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O | None | ||
| 9992825 | 83951 | 16 | UNDEFINED | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | None | ||
| CHEMBL2218907 | 83951 | 16 | UNDEFINED | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 261 | 2 | 3 | 4 | 1.1 | CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O | None | ||
| 4418 | 34000 | 80 | None | -23 | 7 | Dog | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | ||
| CHEMBL142635 | 34000 | 80 | None | -23 | 7 | Dog | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | ||
| 68770 | 44399 | 49 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | None | ||
| CHEMBL152067 | 44399 | 49 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 363 | 7 | 4 | 4 | 3.3 | CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | None | ||
| 105 | 3405 | 84 | 125I-ICYP | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 2083 | 3405 | 84 | 125I-ICYP | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 558 | 3405 | 84 | 125I-ICYP | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| CHEMBL714 | 3405 | 84 | 125I-ICYP | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| DB01001 | 3405 | 84 | 125I-ICYP | -10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | ||
| 1621 | 2396 | 16 | None | -218 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2396 | 16 | None | -218 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2396 | 16 | None | -218 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2396 | 16 | None | -218 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2396 | 16 | None | -218 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 1028 | 287 | 69 | None | -12 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 287 | 69 | None | -12 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 287 | 69 | None | -12 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 287 | 69 | None | -12 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 287 | 69 | None | -12 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 287 | 69 | None | -12 | 29 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 1028 | 287 | 69 | None | -30 | 29 | Dog | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 287 | 69 | None | -30 | 29 | Dog | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 287 | 69 | None | -30 | 29 | Dog | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 287 | 69 | None | -30 | 29 | Dog | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 287 | 69 | None | -30 | 29 | Dog | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 287 | 69 | None | -30 | 29 | Dog | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 146294 | 915 | 0 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | ||
| 552 | 915 | 0 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | ||
| 637 | 915 | 0 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | ||
| CHEMBL2110772 | 915 | 0 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | None | ||
| 4806 | 3945 | 85 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| 7351 | 3945 | 85 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| 9966051 | 3945 | 85 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| CHEMBL2104993 | 3945 | 85 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| DB09068 | 3945 | 85 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| 1222 | 1634 | 44 | None | -95 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3396 | 1634 | 44 | None | -95 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 85 | 1634 | 44 | None | -95 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| CHEMBL46516 | 1634 | 44 | None | -95 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| DB04842 | 1634 | 44 | None | -95 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | ||
| 3793 | 201519 | 70 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | None | ||
| 45039617 | 201519 | 70 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | None | ||
| CHEMBL64391 | 201519 | 70 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | None | ||
| 1786 | 2484 | 79 | None | -25 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 4171 | 2484 | 79 | None | -25 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 553 | 2484 | 79 | None | -25 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| CHEMBL13 | 2484 | 79 | None | -25 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| DB00264 | 2484 | 79 | None | -25 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | ||
| 1978 | 248 | 54 | None | 16 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| 40 | 248 | 54 | None | 16 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| 7107 | 248 | 54 | None | 16 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| CHEMBL642 | 248 | 54 | None | 16 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| DB01193 | 248 | 54 | None | 16 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| 21268191 | 89217 | 0 | UNDEFINED | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 6 | 3 | 3 | 3.5 | OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | None | ||
| CHEMBL237572 | 89217 | 0 | UNDEFINED | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 340 | 6 | 3 | 3 | 3.5 | OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 | None | ||
| 2663 | 98307 | 30 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | None | ||
| CHEMBL27810 | 98307 | 30 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 9 | 3 | 5 | 2.9 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | None | ||
| 1499 | 2060 | 43 | None | 5 | 17 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 2060 | 43 | None | 5 | 17 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 2060 | 43 | None | 5 | 17 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 2060 | 43 | None | 5 | 17 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 2060 | 43 | None | 5 | 17 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 443372 | 10138 | 23 | None | 1 | 3 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL1160723 | 10138 | 23 | None | 1 | 3 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL2062275 | 10138 | 23 | None | 1 | 3 | Golden hamster | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| 2464 | 3583 | 52 | None | -7 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 5253 | 3583 | 52 | None | -7 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 7297 | 3583 | 52 | None | -7 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| CHEMBL471 | 3583 | 52 | None | -7 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| DB00489 | 3583 | 52 | None | -7 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | None | ||
| 1531 | 2235 | 64 | 125I-ICYP | -10 | 14 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 3869 | 2235 | 64 | 125I-ICYP | -10 | 14 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 7207 | 2235 | 64 | 125I-ICYP | -10 | 14 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| CHEMBL429 | 2235 | 64 | 125I-ICYP | -10 | 14 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| DB00598 | 2235 | 64 | 125I-ICYP | -10 | 14 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| None | 215925 | 0 | UNDEFINED | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 392 | 6 | 4 | 4 | 3.1 | CCC1=C2CC(CC2=C(C=C1)CC)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O | None | ||
| 11978813 | 713 | 72 | None | -8 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 5014 | 713 | 72 | None | -8 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 7672 | 713 | 72 | None | -8 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| CHEMBL2105760 | 713 | 72 | None | -8 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| DB09128 | 713 | 72 | None | -8 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | ||
| 319 | 1297 | 39 | None | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 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 | ||
| 2291 | 3135 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 2561 | 3135 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 4932 | 3135 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| CHEMBL631 | 3135 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| DB01182 | 3135 | 52 | None | -3 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 4752 | 2279 | 29 | None | -3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 60657 | 2279 | 29 | None | -3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 8035 | 2279 | 29 | None | -3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| CHEMBL1201274 | 2279 | 29 | None | -3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| DB09351 | 2279 | 29 | None | -3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | None | ||
| 118422671 | 2716 | 0 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | ||
| 1887 | 2716 | 0 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | ||
| 71301 | 2716 | 0 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | ||
| 7246 | 2716 | 0 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | ||
| CHEMBL434394 | 2716 | 0 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | ||
| DB04861 | 2716 | 0 | None | -3 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | ||
| 1588 | 2294 | 24 | None | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | ||
| 4183 | 1994 | 62 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| 6918554 | 1994 | 62 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| 7455 | 1994 | 62 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| CHEMBL1095777 | 1994 | 62 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| DB05039 | 1994 | 62 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | None | ||
| 3083544 | 462 | 46 | 125I-ICYP | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 4943 | 462 | 46 | 125I-ICYP | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 7479 | 462 | 46 | 125I-ICYP | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| CHEMBL1363 | 462 | 46 | 125I-ICYP | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| DB01274 | 462 | 46 | 125I-ICYP | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | None | ||
| 1588 | 2294 | 24 | 3H-CGP-12177 | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | 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-CGP-12177 | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | 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-CGP-12177 | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | 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-CGP-12177 | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | 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-CGP-12177 | -50 | 43 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| 1531 | 2235 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 3869 | 2235 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 7207 | 2235 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| CHEMBL429 | 2235 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| DB00598 | 2235 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 1978 | 248 | 54 | 125I-ICYP | -1096 | 6 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| 40 | 248 | 54 | 125I-ICYP | -1096 | 6 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| 7107 | 248 | 54 | 125I-ICYP | -1096 | 6 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| CHEMBL642 | 248 | 54 | 125I-ICYP | -1096 | 6 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| DB01193 | 248 | 54 | 125I-ICYP | -1096 | 6 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 336 | 10 | 3 | 5 | 3.0 | CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O | None | ||
| 1155 | 1599 | 45 | 125I-CYP | 2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 3343 | 1599 | 45 | 125I-CYP | 2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 557 | 1599 | 45 | 125I-CYP | 2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| CHEMBL32800 | 1599 | 45 | 125I-CYP | 2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| DB01288 | 1599 | 45 | 125I-CYP | 2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | ||
| 1028 | 287 | 69 | 125I-CYP | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 139148732 | 287 | 69 | 125I-CYP | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 479 | 287 | 69 | 125I-CYP | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 5816 | 287 | 69 | 125I-CYP | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| CHEMBL679 | 287 | 69 | 125I-CYP | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| DB00668 | 287 | 69 | 125I-CYP | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | ||
| 1621 | 2396 | 16 | 125I-Pindolol | -2398 | 44 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 17 | 2396 | 16 | 125I-Pindolol | -2398 | 44 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 5761 | 2396 | 16 | 125I-Pindolol | -2398 | 44 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL263881 | 2396 | 16 | 125I-Pindolol | -2398 | 44 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB04829 | 2396 | 16 | 125I-Pindolol | -2398 | 44 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 323 | 3 | 1 | 2 | 2.9 | CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 31101 | 720 | 39 | 3H-CGP-12177 | -97 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 35 | 720 | 39 | 3H-CGP-12177 | -97 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 403 | 720 | 39 | 3H-CGP-12177 | -97 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| CHEMBL493 | 720 | 39 | 3H-CGP-12177 | -97 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| DB01200 | 720 | 39 | 3H-CGP-12177 | -97 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| None | 215929 | 0 | UNDEFINED | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 392 | 6 | 4 | 4 | 3.1 | CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC | None | ||
| 3337 | 214441 | 0 | 125I-Pindolol | -199 | 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 | 125I-Pindolol | -199 | 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 | 125I-Pindolol | -199 | 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 | 125I-Pindolol | -199 | 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 | ||
| 3337 | 214441 | 0 | 125I-Pindolol | -199 | 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 | 125I-Pindolol | -199 | 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 | 125I-Pindolol | -199 | 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 | 125I-Pindolol | -199 | 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 | ||
| 4631 | 193302 | 25 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | ||
| CHEMBL546 | 193302 | 25 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | None | ||
| None | 214410 | 0 | 125I-ICYP | 8 | 2 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C(=C3CCN2)F)O)O | None | ||
| 11823027 | 192016 | 33 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | ||
| 4411 | 192016 | 33 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | ||
| CHEMBL521606 | 192016 | 33 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | ||
| 128658 | 33753 | 7 | 125I-ICYP | 3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | ||
| CHEMBL142428 | 33753 | 7 | 125I-ICYP | 3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 363 | 5 | 3 | 6 | 2.7 | COc1cc(CC2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | None | ||
| 71733 | 215963 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 261 | 4 | 2 | 3 | 3.4 | CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C | None | ||
| 484 | 2814 | 45 | 3H-DHA | -31 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 951 | 2814 | 45 | 3H-DHA | -31 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| CHEMBL432 | 2814 | 45 | 3H-DHA | -31 | 35 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | ||
| 27402 | 203973 | 15 | 3H-DHA | -151 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 223 | 5 | 1 | 3 | 2.2 | CCc1cc(OC)c(CC(C)N)cc1OC | None | ||
| CHEMBL8224 | 203973 | 15 | 3H-DHA | -151 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 223 | 5 | 1 | 3 | 2.2 | CCc1cc(OC)c(CC(C)N)cc1OC | None | ||
| 2249 | 509 | 106 | 125I-CYP | -33 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 255 | 509 | 106 | 125I-CYP | -33 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 548 | 509 | 106 | 125I-CYP | -33 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| CHEMBL24 | 509 | 106 | 125I-CYP | -33 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| DB00335 | 509 | 106 | 125I-CYP | -33 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | ||
| 3486 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 4883 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 555 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| CHEMBL6995 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| DB01297 | 3108 | 51 | 3H-DHA | -60 | 11 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 266 | 7 | 3 | 4 | 1.4 | OC(COc1ccc(cc1)NC(=O)C)CNC(C)C | None | ||
| 2176 | 3077 | 66 | None | -2 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 4828 | 3077 | 66 | None | -2 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 91 | 3077 | 66 | None | -2 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| CHEMBL500 | 3077 | 66 | None | -2 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| DB00960 | 3077 | 66 | None | -2 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | ||
| 37464 | 19025 | 23 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | None | ||
| CHEMBL1290 | 19025 | 23 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | None | ||
| 2475 | 730 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | ||
| 433 | 730 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | ||
| 550 | 730 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | ||
| CHEMBL305380 | 730 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | ||
| DB08808 | 730 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | ||
| 11504295 | 2878 | 40 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | ||
| 4814 | 2878 | 40 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | ||
| 7543 | 2878 | 40 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | ||
| CHEMBL605846 | 2878 | 40 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | ||
| DB09080 | 2878 | 40 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | ||
| 2419 | 3407 | 80 | 125I-ICYP | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 5152 | 3407 | 80 | 125I-ICYP | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 559 | 3407 | 80 | 125I-ICYP | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| CHEMBL1263 | 3407 | 80 | 125I-ICYP | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| DB00938 | 3407 | 80 | 125I-ICYP | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 2583 | 204178 | 46 | None | -2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | None | ||
| CHEMBL839 | 204178 | 46 | None | -2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 292 | 5 | 3 | 4 | 1.7 | CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 | None | ||
| 39468 | 2280 | 33 | None | 3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| 431 | 2280 | 33 | None | 3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| 570 | 2280 | 33 | None | 3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| CHEMBL1201237 | 2280 | 33 | None | 3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| DB01210 | 2280 | 33 | None | 3 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| 2419 | 3407 | 80 | None | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 5152 | 3407 | 80 | None | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 559 | 3407 | 80 | None | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| CHEMBL1263 | 3407 | 80 | None | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| DB00938 | 3407 | 80 | None | 16 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 44112 | 120777 | 41 | None | -1 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | ||
| CHEMBL357995 | 120777 | 41 | None | -1 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | ||
| 33624 | 3761 | 29 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| 4061 | 3761 | 29 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| 565 | 3761 | 29 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| CHEMBL499 | 3761 | 29 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| DB00373 | 3761 | 29 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | ||
| 5581 | 101188 | 10 | 125I-ICYP | 1 | 7 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| CHEMBL299175 | 101188 | 10 | 125I-ICYP | 1 | 7 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 345 | 5 | 3 | 6 | 2.6 | COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | ||
| 4631 | 193302 | 25 | 125I-ICYP | -1 | 7 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | ||
| CHEMBL546 | 193302 | 25 | 125I-ICYP | -1 | 7 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 265 | 9 | 2 | 4 | 2.0 | C=CCOc1ccccc1OCC(O)CNC(C)C | None | ||
| 2585 | 790 | 100 | None | 1 | 22 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 522 | 790 | 100 | None | 1 | 22 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 551 | 790 | 100 | None | 1 | 22 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| CHEMBL723 | 790 | 100 | None | 1 | 22 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| DB01136 | 790 | 100 | None | 1 | 22 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | ||
| 487 | 781 | 65 | None | 4 | 6 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | ||
| 569 | 781 | 65 | None | 4 | 6 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | ||
| 71739 | 781 | 65 | None | 4 | 6 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | ||
| CHEMBL324665 | 781 | 65 | None | 4 | 6 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | ||
| None | 214650 | 0 | 125I-CYP | -21 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 363 | 9 | 3 | 4 | 3.1 | CC(CC1=CC=C(C=C1)OCC(=O)O)NCC(C2=CC(=CC=C2)Cl)O | None | ||
| 219050 | 3321 | 21 | 3H-CGP-12177 | -5754 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| 52 | 3321 | 21 | 3H-CGP-12177 | -5754 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| CHEMBL431367 | 3321 | 21 | 3H-CGP-12177 | -5754 | 21 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | ||
| None | 214409 | 0 | 125I-ICYP | -2 | 4 | Guinea pig | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 381 | 5 | 3 | 5 | -1.5 | COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CC[NH2+]2)O)O.[Cl-] | None | ||
| 10455 | 3230 | 34 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 19245211 | ||
| 10455 | 3230 | 34 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 35732075 | ||
| 56052 | 3230 | 34 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 19245211 | ||
| 56052 | 3230 | 34 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 35732075 | ||
| CHEMBL509336 | 3230 | 34 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 19245211 | ||
| CHEMBL509336 | 3230 | 34 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 35732075 | ||
| DB11541 | 3230 | 34 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 19245211 | ||
| DB11541 | 3230 | 34 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 301 | 7 | 4 | 4 | 2.7 | CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O | 35732075 | ||
| 123600 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 22182578 | ||
| 1575 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 22182578 | ||
| 9816 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 22182578 | ||
| CHEMBL1002 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 22182578 | ||
| DB13139 | 2285 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O | 22182578 | ||
| 118422671 | 2716 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | ||
| 1887 | 2716 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | ||
| 71301 | 2716 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | ||
| 7246 | 2716 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | ||
| CHEMBL434394 | 2716 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | ||
| DB04861 | 2716 | 0 | None | -3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | ||
| 1960 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| 1960 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| 439260 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| 439260 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| 505 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| 505 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| CHEMBL1437 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| CHEMBL1437 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| DB00368 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| DB00368 | 2815 | 64 | None | -549 | 26 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| 1024 | 1541 | 27 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 9295336 | ||
| 556 | 1541 | 27 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 9295336 | ||
| 9294 | 1541 | 27 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 9295336 | ||
| CHEMBL211456 | 1541 | 27 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 9295336 | ||
| DB01364 | 1541 | 27 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 165 | 3 | 2 | 2 | 1.3 | CN[C@H]([C@@H](c1ccccc1)O)C | 9295336 | ||
| 2598 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 15655528 | ||
| 5403 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 15655528 | ||
| 560 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 15655528 | ||
| CHEMBL1760 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 15655528 | ||
| DB00871 | 3719 | 52 | None | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | 15655528 | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10531390 | ||
| 105 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 15655528 | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10531390 | ||
| 2083 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 15655528 | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10531390 | ||
| 558 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 15655528 | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10531390 | ||
| CHEMBL714 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 15655528 | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 10531390 | ||
| DB01001 | 3405 | 84 | None | -10 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | 15655528 | ||
| 1028 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| 1028 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| 1028 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9295336 | ||
| 139148732 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| 139148732 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| 139148732 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9295336 | ||
| 479 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| 479 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| 479 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9295336 | ||
| 5816 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| 5816 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| 5816 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9295336 | ||
| CHEMBL679 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| CHEMBL679 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| CHEMBL679 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9295336 | ||
| DB00668 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | ||
| DB00668 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 2849109 | ||
| DB00668 | 287 | 69 | None | -89 | 29 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 9295336 | ||
| 2464 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | ||
| 5253 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | ||
| 7297 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | ||
| CHEMBL471 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | ||
| DB00489 | 3583 | 52 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 272 | 6 | 3 | 4 | 1.1 | CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C | 15655528 | ||
| 1499 | 2060 | 43 | None | -33 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | ||
| 3779 | 2060 | 43 | None | -33 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | ||
| 536 | 2060 | 43 | None | -33 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | ||
| CHEMBL434 | 2060 | 43 | None | -33 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | ||
| DB01064 | 2060 | 43 | None | -33 | 17 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | ||
| 134495 | 738 | 18 | None | -2 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 1968985 | ||
| 134495 | 738 | 18 | None | -2 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 6140042 | ||
| 18026 | 738 | 18 | None | -2 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 1968985 | ||
| 18026 | 738 | 18 | None | -2 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 6140042 | ||
| 9809 | 738 | 18 | None | -2 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 1968985 | ||
| 9809 | 738 | 18 | None | -2 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 6140042 | ||
| CHEMBL289093 | 738 | 18 | None | -2 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 1968985 | ||
| CHEMBL289093 | 738 | 18 | None | -2 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 267 | 5 | 2 | 4 | 2.5 | COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC | 6140042 | ||
| 1155 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 24454993 | ||
| 1155 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 25324048 | ||
| 1155 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 35732075 | ||
| 3343 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 24454993 | ||
| 3343 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 25324048 | ||
| 3343 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 35732075 | ||
| 557 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 24454993 | ||
| 557 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 25324048 | ||
| 557 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 35732075 | ||
| CHEMBL32800 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 24454993 | ||
| CHEMBL32800 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 25324048 | ||
| CHEMBL32800 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 35732075 | ||
| DB01288 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 24454993 | ||
| DB01288 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 25324048 | ||
| DB01288 | 1599 | 45 | None | 2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 35732075 | ||
| 2291 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 2561 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 4932 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| CHEMBL631 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| DB01182 | 3135 | 52 | None | -3 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | ||
| 4752 | 2279 | 29 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | ||
| 60657 | 2279 | 29 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | ||
| 8035 | 2279 | 29 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | ||
| CHEMBL1201274 | 2279 | 29 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | ||
| DB09351 | 2279 | 29 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 11572462 | ||
| 39147 | 2672 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | ||
| 39147 | 2672 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 15655528 | ||
| 554 | 2672 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | ||
| 554 | 2672 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 15655528 | ||
| CHEMBL649 | 2672 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | ||
| CHEMBL649 | 2672 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 15655528 | ||
| DB01203 | 2672 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | ||
| DB01203 | 2672 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 15655528 | ||
| 4183 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | ||
| 4183 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | ||
| 6918554 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | ||
| 6918554 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | ||
| 7455 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | ||
| 7455 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | ||
| CHEMBL1095777 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | ||
| CHEMBL1095777 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | ||
| DB05039 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 16434564 | ||
| DB05039 | 1994 | 62 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 392 | 6 | 4 | 4 | 3.1 | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O | 22932315 | ||
| 1531 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 3869 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 7207 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| CHEMBL429 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| DB00598 | 2235 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | ||
| 3083544 | 462 | 46 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 15324892 | ||
| 4943 | 462 | 46 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 15324892 | ||
| 7479 | 462 | 46 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 15324892 | ||
| CHEMBL1363 | 462 | 46 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 15324892 | ||
| DB01274 | 462 | 46 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O | 15324892 | ||
| 2475 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | ||
| 2475 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | ||
| 2475 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | ||
| 433 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | ||
| 433 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | ||
| 433 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | ||
| 550 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | ||
| 550 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | ||
| 550 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | ||
| CHEMBL305380 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | ||
| CHEMBL305380 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | ||
| CHEMBL305380 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | ||
| DB08808 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | ||
| DB08808 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | ||
| DB08808 | 730 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 15655528 | ||
| 5311452 | 3614 | 8 | None | 7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | ||
| 5311452 | 3614 | 8 | None | 7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 15655528 | ||
| 547 | 3614 | 8 | None | 7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | ||
| 547 | 3614 | 8 | None | 7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 15655528 | ||
| CHEMBL1326499 | 3614 | 8 | None | 7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | ||
| CHEMBL1326499 | 3614 | 8 | None | 7 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 15655528 | ||
| 137 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 15655528 | ||
| 2119 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 15655528 | ||
| 563 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 15655528 | ||
| 66368 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 15655528 | ||
| CHEMBL266195 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 15655528 | ||
| DB00866 | 367 | 47 | None | -3 | 11 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 15655528 | ||
| 39468 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| 431 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| 570 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| CHEMBL1201237 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| DB01210 | 2280 | 33 | None | 3 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C | None | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| 165193 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| 2303 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| 4946 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| 564 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| 62882 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| 63 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| 66366 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| 91536 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| CHEMBL27 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| CHEMBL452861 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10079020 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 10531390 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 12920204 | ||
| DB00571 | 3138 | 60 | None | 1 | 42 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | OC(COc1cccc2c1cccc2)CNC(C)C | 15655528 | ||
| 5311179 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | ||
| 5311179 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 12920204 | ||
| 5311179 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | ||
| 543 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | ||
| 543 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 12920204 | ||
| 543 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | ||
| 5484725 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | ||
| 5484725 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 12920204 | ||
| 5484725 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | ||
| CHEMBL1233766 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | ||
| CHEMBL1233766 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 12920204 | ||
| CHEMBL1233766 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | ||
| CHEMBL198059 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | ||
| CHEMBL198059 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 12920204 | ||
| CHEMBL198059 | 1943 | 18 | None | 85 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | ||
| 2176 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | ||
| 4828 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | ||
| 91 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | ||
| CHEMBL500 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | ||
| DB00960 | 3077 | 66 | None | -2 | 26 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 17804228 | ||
| 2585 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | ||
| 2585 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | ||
| 522 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | ||
| 522 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | ||
| 551 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | ||
| 551 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | ||
| CHEMBL723 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | ||
| CHEMBL723 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | ||
| DB01136 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | ||
| DB01136 | 790 | 100 | None | 1 | 22 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | ||
| 33624 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | ||
| 4061 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | ||
| 565 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | ||
| CHEMBL499 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | ||
| DB00373 | 3761 | 29 | None | 1 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | 15655528 | ||
| 487 | 781 | 65 | None | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 18829308 | ||
| 569 | 781 | 65 | None | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 18829308 | ||
| 71739 | 781 | 65 | None | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 18829308 | ||
| CHEMBL324665 | 781 | 65 | None | 4 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 18829308 | ||
| 3337 | 214441 | 0 | None | -199 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | None | -199 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | None | -199 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | None | -199 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 1353 | 1880 | 85 | None | -446 | 85 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | None | -446 | 85 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | None | -446 | 85 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | None | -446 | 85 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | None | -446 | 85 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 135398745 | 2869 | 108 | None | -331 | 65 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | None | -331 | 65 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | None | -331 | 65 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | None | -331 | 65 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2181 | 3079 | 0 | None | -25 | 34 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 4830 | 3079 | 0 | None | -25 | 34 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 92 | 3079 | 0 | None | -25 | 34 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| CHEMBL440294 | 3079 | 0 | None | -25 | 34 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| DB09286 | 3079 | 0 | None | -25 | 34 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | ||
| 2337 | 3205 | 72 | None | -72 | 62 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | None | -72 | 62 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | None | -72 | 62 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | None | -72 | 62 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | None | -72 | 62 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2389 | 3279 | 114 | None | -1659 | 67 | Human | 8.3 | pKi | None | 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 | -1659 | 67 | Human | 8.3 | pKi | None | 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 | -1659 | 67 | Human | 8.3 | pKi | None | 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 | -1659 | 67 | Human | 8.3 | pKi | None | 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 | -1659 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 2435 | 3533 | 78 | None | -316 | 48 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 60149 | 3533 | 78 | None | -316 | 48 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 98 | 3533 | 78 | None | -316 | 48 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| CHEMBL12713 | 3533 | 78 | None | -316 | 48 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| DB06144 | 3533 | 78 | None | -316 | 48 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | ||
| 2865 | 4079 | 67 | None | -1318 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | None | -1318 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | None | -1318 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | None | -1318 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | None | -1318 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 115237 | 55296 | 113 | None | -501 | 54 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55296 | 113 | None | -501 | 54 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 46780481 | 107045 | 18 | None | -954 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107045 | 18 | None | -954 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107045 | 18 | None | -954 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107045 | 18 | None | -954 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 135398737 | 944 | 89 | None | -190 | 91 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | None | -190 | 91 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | None | -190 | 91 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | None | -190 | 91 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | None | -190 | 91 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 31101 | 720 | 39 | None | -97 | 35 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 35 | 720 | 39 | None | -97 | 35 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 403 | 720 | 39 | None | -97 | 35 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| CHEMBL493 | 720 | 39 | None | -97 | 35 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| DB01200 | 720 | 39 | None | -97 | 35 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | ||
| 242 | 467 | 117 | None | -23 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | None | -23 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | None | -23 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | None | -23 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | None | -23 | 51 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 65772 | 216007 | 0 | None | 1 | 2 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COC1=CC(C[C@@H]2NCCC3=CC(O)=C(O)C=C23)=CC(OC)=C1OC | None | ||
| 2601 | 3721 | 30 | None | -14 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 443951 | 3721 | 30 | None | -14 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 56 | 3721 | 30 | None | -14 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL73151 | 3721 | 30 | None | -14 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB13399 | 3721 | 30 | None | -14 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 32051 | 4087 | 0 | None | - | 1 | Human | 3.3 | pKi | None | 3.3 | Binding | Guide to Pharmacology | 64 | 0 | 0 | 0 | -0.0 | [Zn+2] | 11752207 | ||
| 32051 | 4087 | 0 | None | - | 1 | Human | 3.3 | pKi | None | 3.3 | Binding | Guide to Pharmacology | 64 | 0 | 0 | 0 | -0.0 | [Zn+2] | 12409304 | ||
| 566 | 4087 | 0 | None | - | 1 | Human | 3.3 | pKi | None | 3.3 | Binding | Guide to Pharmacology | 64 | 0 | 0 | 0 | -0.0 | [Zn+2] | 11752207 | ||
| 566 | 4087 | 0 | None | - | 1 | Human | 3.3 | pKi | None | 3.3 | Binding | Guide to Pharmacology | 64 | 0 | 0 | 0 | -0.0 | [Zn+2] | 12409304 | ||
| 5311116 | 2303 | 6 | None | -1258 | 3 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10079020 | ||
| 544 | 2303 | 6 | None | -1258 | 3 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10079020 | ||
| CHEMBL207802 | 2303 | 6 | None | -1258 | 3 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10079020 | ||
| 32051 | 4087 | 0 | None | - | 1 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 64 | 0 | 0 | 0 | -0.0 | [Zn+2] | 11752207 | ||
| 32051 | 4087 | 0 | None | - | 1 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 64 | 0 | 0 | 0 | -0.0 | [Zn+2] | 12409304 | ||
| 566 | 4087 | 0 | None | - | 1 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 64 | 0 | 0 | 0 | -0.0 | [Zn+2] | 11752207 | ||
| 566 | 4087 | 0 | None | - | 1 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 64 | 0 | 0 | 0 | -0.0 | [Zn+2] | 12409304 | ||
| 484 | 2814 | 45 | None | -31 | 35 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 15102946 | ||
| 951 | 2814 | 45 | None | -31 | 35 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 15102946 | ||
| CHEMBL432 | 2814 | 45 | None | -31 | 35 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | 15102946 | ||
| 2249 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | ||
| 2249 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | ||
| 255 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | ||
| 255 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | ||
| 548 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | ||
| 548 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | ||
| CHEMBL24 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | ||
| CHEMBL24 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | ||
| DB00335 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 10079020 | ||
| DB00335 | 509 | 106 | None | -33 | 11 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | 15655528 | ||
| 10587912 | 2782 | 0 | None | -12 | 2 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 267 | 9 | 3 | 4 | 1.3 | OCCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | ||
| 545 | 2782 | 0 | None | -12 | 2 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 267 | 9 | 3 | 4 | 1.3 | OCCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | ||
| 146294 | 915 | 0 | None | -6 | 2 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | ||
| 552 | 915 | 0 | None | -6 | 2 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | ||
| 637 | 915 | 0 | None | -6 | 2 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | ||
| CHEMBL2110772 | 915 | 0 | None | -6 | 2 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 323 | 12 | 2 | 5 | 2.2 | OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C | 10079020 | ||
| 1786 | 2484 | 79 | None | -25 | 11 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | ||
| 4171 | 2484 | 79 | None | -25 | 11 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | ||
| 553 | 2484 | 79 | None | -25 | 11 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | ||
| CHEMBL13 | 2484 | 79 | None | -25 | 11 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | ||
| DB00264 | 2484 | 79 | None | -25 | 11 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | 10079020 | ||
| 2369 | 615 | 75 | None | -7 | 8 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | ||
| 356 | 615 | 75 | None | -7 | 8 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | ||
| 549 | 615 | 75 | None | -7 | 8 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | ||
| CHEMBL423 | 615 | 75 | None | -7 | 8 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | ||
| DB00195 | 615 | 75 | None | -7 | 8 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 307 | 11 | 2 | 4 | 2.4 | OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C | 10079020 | ||
| 3123920 | 2784 | 79 | None | -18 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10079020 | ||
| 546 | 2784 | 79 | None | -18 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10079020 | ||
| CHEMBL7154 | 2784 | 79 | None | -18 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 209 | 6 | 2 | 3 | 1.4 | OC(COc1ccccc1)CNC(C)C | 10079020 | ||
| 2687 | 876 | 15 | None | 1 | 5 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | ||
| 2687 | 876 | 15 | None | 1 | 5 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | ||
| 532 | 876 | 15 | None | 1 | 5 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | ||
| 532 | 876 | 15 | None | 1 | 5 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | ||
| 5387 | 876 | 15 | None | 1 | 5 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | ||
| 5387 | 876 | 15 | None | 1 | 5 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | ||
| CHEMBL420746 | 876 | 15 | None | 1 | 5 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | ||
| CHEMBL420746 | 876 | 15 | None | 1 | 5 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 15655528 | ||