Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
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Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
CHEMBL525577 | 222432 | 0 | None | -9 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O | 10.1016/j.bmcl.2008.09.033 | ||||
CHEMBL403317 | 219309 | 27 | None | -169 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O | 10.1021/jm0210921 | ||||
44333515 | 11517 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | ||
CHEMBL103756 | 11517 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | ||
90663970 | 113568 | 0 | None | -12 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 553 | 14 | 5 | 4 | 2.5 | NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm0210921 | ||
CHEMBL3144503 | 113568 | 0 | None | -12 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 553 | 14 | 5 | 4 | 2.5 | NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm0210921 | ||
44333515 | 11517 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | ||
CHEMBL103756 | 11517 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | ||
90663965 | 113563 | 0 | None | -13 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 587 | 14 | 5 | 4 | 3.2 | NC(=O)CC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm0210921 | ||
CHEMBL3144498 | 113563 | 0 | None | -13 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 587 | 14 | 5 | 4 | 3.2 | NC(=O)CC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm0210921 | ||
44333515 | 11517 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | ||
CHEMBL103756 | 11517 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | ||
44300286 | 103334 | 0 | None | -3 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1106 | 31 | 11 | 12 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O | 10.1021/jm0210921 | ||
CHEMBL262992 | 103334 | 0 | None | -3 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1106 | 31 | 11 | 12 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O | 10.1021/jm0210921 | ||
CHEMBL438926 | 220590 | 19 | None | -93 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm0210921 | ||||
44334117 | 114272 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 605 | 8 | 4 | 3 | 7.9 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | ||
CHEMBL318548 | 114272 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 605 | 8 | 4 | 3 | 7.9 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | ||
3622597 | 202194 | 14 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 384 | 1 | 2 | 3 | 6.0 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | ||
CHEMBL552189 | 202194 | 14 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 384 | 1 | 2 | 3 | 6.0 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | ||
44250209 | 203266 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 426 | 1 | 2 | 3 | 6.8 | Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | ||
CHEMBL563374 | 203266 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 426 | 1 | 2 | 3 | 6.8 | Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | ||
CHEMBL403317 | 219309 | 27 | None | -169 | 4 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O | 10.1016/s0960-894x(98)00462-4 | ||||
621 | 9809 | 29 | None | 117 | 3 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10.1016/s0960-894x(98)00462-4 | ||
9937534 | 9809 | 29 | None | 117 | 3 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL329650 | 9809 | 29 | None | 117 | 3 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10.1016/s0960-894x(98)00462-4 | ||
626 | 9810 | 40 | None | 125 | 2 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | ||
9829828 | 9810 | 40 | None | 125 | 2 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL405908 | 9810 | 40 | None | 125 | 2 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | ||
44321212 | 118205 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 598 | 10 | 4 | 6 | 6.1 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc([N+](=O)[O-])cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL327388 | 118205 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 598 | 10 | 4 | 6 | 6.1 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc([N+](=O)[O-])cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321034 | 118290 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 534 | 8 | 4 | 4 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(C#N)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL327840 | 118290 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 534 | 8 | 4 | 4 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(C#N)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321211 | 212958 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 553 | 9 | 4 | 4 | 6.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccccc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL86370 | 212958 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 553 | 9 | 4 | 4 | 6.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccccc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321244 | 212840 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 613 | 11 | 4 | 6 | 6.2 | COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1OC | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL85400 | 212840 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 613 | 11 | 4 | 6 | 6.2 | COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1OC | 10.1016/s0960-894x(98)00462-4 | ||
44321006 | 112728 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 583 | 10 | 4 | 5 | 6.2 | COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL312926 | 112728 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 583 | 10 | 4 | 5 | 6.2 | COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
44321039 | 174942 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 596 | 10 | 4 | 5 | 6.3 | CN(C)c1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL433143 | 174942 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 596 | 10 | 4 | 5 | 6.3 | CN(C)c1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
44321245 | 212831 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 597 | 11 | 4 | 5 | 6.6 | CCOc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL85291 | 212831 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 597 | 11 | 4 | 5 | 6.6 | CCOc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
44321158 | 213194 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 569 | 9 | 5 | 5 | 5.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(O)cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL87846 | 213194 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 569 | 9 | 5 | 5 | 5.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(O)cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321246 | 112843 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL313346 | 112843 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321117 | 112749 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 595 | 10 | 4 | 4 | 7.3 | CC(C)c1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL313030 | 112749 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 595 | 10 | 4 | 4 | 7.3 | CC(C)c1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
44321035 | 213494 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL89813 | 213494 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
101835328 | 7491 | 41 | None | -6 | 3 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
16133800 | 7491 | 41 | None | -6 | 3 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
16201612 | 7491 | 41 | None | -6 | 3 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
616 | 7491 | 41 | None | -6 | 3 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
91898967 | 7491 | 41 | None | -6 | 3 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
CHEMBL437027 | 7491 | 41 | None | -6 | 3 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
DB11724 | 7491 | 41 | None | -6 | 3 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
44321083 | 118255 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 577 | 8 | 4 | 3 | 7.0 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL327678 | 118255 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 577 | 8 | 4 | 3 | 7.0 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL314375 | 217959 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)C(N)=O | 10.1016/s0960-894x(98)00462-4 | ||||
44321084 | 113902 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 543 | 8 | 4 | 3 | 6.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL316085 | 113902 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 543 | 8 | 4 | 3 | 6.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321037 | 213632 | 1 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 577 | 8 | 4 | 3 | 6.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL90614 | 213632 | 1 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 577 | 8 | 4 | 3 | 6.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321085 | 213082 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 509 | 8 | 4 | 3 | 5.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL87079 | 213082 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 509 | 8 | 4 | 3 | 5.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321036 | 213485 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 583 | 10 | 4 | 5 | 6.2 | COc1ccccc1C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL89734 | 213485 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 583 | 10 | 4 | 5 | 6.2 | COc1ccccc1C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
5311352 | 9807 | 8 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/s0960-894x(98)00462-4 | ||
620 | 9807 | 8 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL86828 | 9807 | 8 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/s0960-894x(98)00462-4 | ||
612 | 8556 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
CHEMBL413196 | 8556 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
44321157 | 213219 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 551 | 9 | 4 | 3 | 6.8 | CC(C)c1ccc(NC(=O)N[C@@](C)(Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccn3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL88010 | 213219 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 551 | 9 | 4 | 3 | 6.8 | CC(C)c1ccc(NC(=O)N[C@@](C)(Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccn3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
6176 | 7361 | 0 | None | -3388 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | 895 | 23 | 7 | 8 | 4.8 | CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C | 20096642 | ||
6176 | 7361 | 0 | None | -3388 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | 895 | 23 | 7 | 8 | 4.8 | CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C | 23892571 | ||
73755180 | 7361 | 0 | None | -3388 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | 895 | 23 | 7 | 8 | 4.8 | CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C | 20096642 | ||
73755180 | 7361 | 0 | None | -3388 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | 895 | 23 | 7 | 8 | 4.8 | CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C | 23892571 | ||
3889 | 8912 | 0 | None | -3311 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | None | None | None | None | 11463790 | ||||
635 | 8232 | 0 | None | -2 | 4 | Rat | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | None | None | None | None | 7901752 | ||||
6172 | 8233 | 0 | None | 10 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
635 | 8232 | 0 | None | 2 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
155817490 | 9087 | 0 | None | -2 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | None | ||||
6168 | 9087 | 0 | None | -2 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | None | ||||
155817491 | 8559 | 0 | None | -1288 | 3 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6175 | 8559 | 0 | None | -1288 | 3 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
155817490 | 9087 | 0 | None | -1 | 4 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6168 | 9087 | 0 | None | -1 | 4 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
155817491 | 8559 | 0 | None | -758 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6175 | 8559 | 0 | None | -758 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
621 | 9809 | 29 | None | -117 | 3 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10454496 | ||
9937534 | 9809 | 29 | None | -117 | 3 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10454496 | ||
CHEMBL329650 | 9809 | 29 | None | -117 | 3 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10454496 | ||
155817489 | 9889 | 0 | None | -8 | 4 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6166 | 9889 | 0 | None | -8 | 4 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
22146595 | 10063 | 0 | None | -2 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
618 | 10063 | 0 | None | -2 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
101835328 | 7491 | 41 | None | -6 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
16133800 | 7491 | 41 | None | -6 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
16201612 | 7491 | 41 | None | -6 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
616 | 7491 | 41 | None | -6 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
91898967 | 7491 | 41 | None | -6 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
CHEMBL437027 | 7491 | 41 | None | -6 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
DB11724 | 7491 | 41 | None | -6 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
155817489 | 9889 | 0 | None | 8 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6166 | 9889 | 0 | None | 8 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
155817488 | 10100 | 0 | None | -4 | 4 | Rat | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
57340152 | 10100 | 0 | None | -4 | 4 | Rat | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6165 | 10100 | 0 | None | -4 | 4 | Rat | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
621 | 9809 | 29 | None | 117 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 19463875 | ||
9937534 | 9809 | 29 | None | 117 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 19463875 | ||
CHEMBL329650 | 9809 | 29 | None | 117 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 19463875 | ||
626 | 9810 | 40 | None | 125 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 19463875 | ||
9829828 | 9810 | 40 | None | 125 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 19463875 | ||
CHEMBL405908 | 9810 | 40 | None | 125 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 19463875 | ||
632 | 8260 | 0 | None | -4 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6163 | 9545 | 0 | None | 67 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
155817488 | 10100 | 0 | None | 4 | 4 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
57340152 | 10100 | 0 | None | 4 | 4 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6165 | 10100 | 0 | None | 4 | 4 | Human | 9.7 | pIC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
3840 | 8263 | 0 | None | -7762 | 2 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
624 | 8911 | 0 | None | -7943 | 2 | Rat | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | None | None | None | None | 11463790 | ||||
49871766 | 9335 | 40 | None | -6165 | 5 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | 444 | 6 | 2 | 4 | 4.5 | FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F | 21036912 | ||
49871766 | 9335 | 40 | None | -6165 | 5 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | 444 | 6 | 2 | 4 | 4.5 | FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F | 23892571 | ||
6170 | 9335 | 40 | None | -6165 | 5 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | 444 | 6 | 2 | 4 | 4.5 | FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F | 21036912 | ||
6170 | 9335 | 40 | None | -6165 | 5 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | 444 | 6 | 2 | 4 | 4.5 | FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F | 23892571 | ||
CHEMBL1672354 | 9335 | 40 | None | -6165 | 5 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | 444 | 6 | 2 | 4 | 4.5 | FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F | 21036912 | ||
CHEMBL1672354 | 9335 | 40 | None | -6165 | 5 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | 444 | 6 | 2 | 4 | 4.5 | FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F | 23892571 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
117745230 | 149310 | 0 | None | - | 0 | Rat | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 1523 | 40 | 17 | 21 | -3.0 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)O)C(N)=O | nan | |||
CHEMBL3890803 | 149310 | 0 | None | - | 0 | Rat | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 1523 | 40 | 17 | 21 | -3.0 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)O)C(N)=O | nan | |||
CHEMBL3944194 | 219253 | 0 | None | - | 0 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O | nan | |||||
134145000 | 157067 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1501 | 43 | 16 | 22 | -3.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NCc1ccc(C(=O)C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
CHEMBL3952732 | 157067 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1501 | 43 | 16 | 22 | -3.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NCc1ccc(C(=O)C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
134156977 | 160759 | 0 | None | - | 0 | Rat | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 1604 | 43 | 17 | 21 | -2.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3983862 | 160759 | 0 | None | - | 0 | Rat | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 1604 | 43 | 17 | 21 | -2.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)CC1)C(C)C)C(N)=O | nan | |||
626 | 9810 | 40 | None | 5 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | |||
9829828 | 9810 | 40 | None | 5 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | |||
CHEMBL405908 | 9810 | 40 | None | 5 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | |||
CHEMBL403317 | 219309 | 27 | None | - | 2 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O | nan | |||||
117745218 | 156904 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1536 | 41 | 17 | 21 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(Cl)c1)C(C)C)C(N)=O | nan | |||
CHEMBL3951222 | 156904 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1536 | 41 | 17 | 21 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(Cl)c1)C(C)C)C(N)=O | nan | |||
117745209 | 159680 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1516 | 42 | 17 | 21 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(C(=O)NCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
CHEMBL3974709 | 159680 | 0 | None | - | 0 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1516 | 42 | 17 | 21 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(C(=O)NCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
11389266 | 168584 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1303 | 44 | 17 | 18 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | |||
CHEMBL414307 | 168584 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1303 | 44 | 17 | 18 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | |||
CHEMBL413893 | 219878 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | |||||
117745205 | 157209 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)c1ccc(NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
CHEMBL3953912 | 157209 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)c1ccc(NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
87217693 | 158052 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1489 | 41 | 16 | 21 | -3.2 | COc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)ccc1CNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | nan | |||
CHEMBL3960359 | 158052 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1489 | 41 | 16 | 21 | -3.2 | COc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)ccc1CNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | nan | |||
134153902 | 159334 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1592 | 42 | 17 | 21 | -1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(-c2ccc(NC(=O)CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2C)cc1)C(C)C)C(N)=O | nan | |||
CHEMBL3971676 | 159334 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1592 | 42 | 17 | 21 | -1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(-c2ccc(NC(=O)CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2C)cc1)C(C)C)C(N)=O | nan | |||
87217854 | 151024 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1516 | 41 | 16 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(N(C)C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
CHEMBL3904706 | 151024 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1516 | 41 | 16 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(N(C)C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
16154477 | 157153 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
CHEMBL3953323 | 157153 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
87217796 | 155726 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)C(C)C)C(N)=O | nan | |||
CHEMBL3941990 | 155726 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)C(C)C)C(N)=O | nan | |||
CHEMBL2371725 | 216897 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O | 10.1021/jm049437y | |||||
134131431 | 149153 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1583 | 40 | 15 | 23 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)Cn1c(=O)n(C2CCN(C(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)c2ccccc21)C(C)C)C(N)=O | nan | |||
CHEMBL3889538 | 149153 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1583 | 40 | 15 | 23 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)Cn1c(=O)n(C2CCN(C(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)c2ccccc21)C(C)C)C(N)=O | nan | |||
87217644 | 150495 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1489 | 42 | 16 | 21 | -3.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(OCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
CHEMBL3900523 | 150495 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1489 | 42 | 16 | 21 | -3.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(OCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
134154031 | 159636 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1517 | 48 | 21 | 23 | -8.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
CHEMBL3974250 | 159636 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1517 | 48 | 21 | 23 | -8.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
44333639 | 11499 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 526 | 7 | 4 | 5 | 4.6 | CC(C)(CNC(=O)C1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCc2[nH]c3ccccc3c2C1)c1ccccn1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL103594 | 11499 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 526 | 7 | 4 | 5 | 4.6 | CC(C)(CNC(=O)C1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCc2[nH]c3ccccc3c2C1)c1ccccn1 | 10.1016/j.bmcl.2004.04.045 | |||
45271538 | 202091 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 398 | 1 | 1 | 3 | 6.0 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2C | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL551511 | 202091 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 398 | 1 | 1 | 3 | 6.0 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2C | 10.1016/j.bmcl.2009.05.124 | |||
45273304 | 202684 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 386 | 1 | 3 | 4 | 5.4 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(O)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL559093 | 202684 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 386 | 1 | 3 | 4 | 5.4 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(O)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
45273305 | 203256 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 413 | 2 | 3 | 4 | 4.8 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(N)=O)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL563295 | 203256 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 413 | 2 | 3 | 4 | 4.8 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(N)=O)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
45272454 | 203294 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 342 | 1 | 2 | 3 | 5.0 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CCC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL563540 | 203294 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 342 | 1 | 2 | 3 | 5.0 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CCC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
45267289 | 203307 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 414 | 2 | 3 | 4 | 5.4 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)O)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL563633 | 203307 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 414 | 2 | 3 | 4 | 5.4 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)O)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
44333866 | 171079 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 641 | 8 | 4 | 3 | 8.5 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cc(F)ccc3c2C1F | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL421216 | 171079 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 641 | 8 | 4 | 3 | 8.5 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cc(F)ccc3c2C1F | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL2371724 | 216896 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O | 10.1021/jm049437y | |||||
45267292 | 202768 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 362 | 2 | 2 | 4 | 5.2 | COc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC(C)(C)C2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL559859 | 202768 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 362 | 2 | 2 | 4 | 5.2 | COc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC(C)(C)C2 | 10.1016/j.bmcl.2009.05.124 | |||
44334408 | 11784 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 589 | 6 | 4 | 3 | 6.6 | O=C(Nc1ccc(C(F)(F)F)cc1)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL105068 | 11784 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 589 | 6 | 4 | 3 | 6.6 | O=C(Nc1ccc(C(F)(F)F)cc1)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
134157223 | 160358 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1495 | 42 | 16 | 22 | -5.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3980433 | 160358 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1495 | 42 | 16 | 22 | -5.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | |||
134147546 | 156413 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1614 | 52 | 18 | 24 | -6.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3947283 | 156413 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1614 | 52 | 18 | 24 | -6.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | |||
134135762 | 151279 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1599 | 50 | 20 | 24 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3906914 | 151279 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1599 | 50 | 20 | 24 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | |||
4604199 | 201845 | 19 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 350 | 1 | 2 | 3 | 5.4 | Cc1ccc2c(c1)NC(c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL549567 | 201845 | 19 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 350 | 1 | 2 | 3 | 5.4 | Cc1ccc2c(c1)NC(c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
45269876 | 202195 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 454 | 2 | 2 | 4 | 6.6 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(OC(F)(F)F)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL552191 | 202195 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 454 | 2 | 2 | 4 | 6.6 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(OC(F)(F)F)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
45271526 | 203171 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 395 | 1 | 2 | 4 | 5.6 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(C#N)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL562708 | 203171 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 395 | 1 | 2 | 4 | 5.6 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(C#N)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
134149621 | 155409 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1449 | 45 | 16 | 19 | -2.2 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3939368 | 155409 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1449 | 45 | 16 | 19 | -2.2 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
45273323 | 202478 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 356 | 1 | 2 | 3 | 5.4 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CCCC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL556898 | 202478 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 356 | 1 | 2 | 3 | 5.4 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CCCC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
134151148 | 158360 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1535 | 41 | 16 | 20 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(-c2ccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)c1)C(C)C)C(N)=O | nan | |||
CHEMBL3963362 | 158360 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1535 | 41 | 16 | 20 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(-c2ccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)c1)C(C)C)C(N)=O | nan | |||
5311352 | 9807 | 8 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/0960-894X(96)00481-7 | |||
620 | 9807 | 8 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL86828 | 9807 | 8 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/0960-894X(96)00481-7 | |||
45267295 | 202769 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 440 | 4 | 1 | 3 | 7.2 | CCCCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)C1c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL559860 | 202769 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 440 | 4 | 1 | 3 | 7.2 | CCCCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)C1c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
134152521 | 158316 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1360 | 37 | 15 | 19 | -3.9 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3963000 | 158316 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1360 | 37 | 15 | 19 | -3.9 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
45270715 | 203298 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 1 | 1 | 3 | 6.0 | Cc1ccc2c(c1)N(C)C(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL563564 | 203298 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 398 | 1 | 1 | 3 | 6.0 | Cc1ccc2c(c1)N(C)C(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
134151766 | 159938 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1397 | 40 | 16 | 20 | -4.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3976771 | 159938 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1397 | 40 | 16 | 20 | -4.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
45270716 | 201551 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 412 | 2 | 1 | 3 | 6.4 | CCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)C1c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL538178 | 201551 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 412 | 2 | 1 | 3 | 6.4 | CCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)C1c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
44334409 | 11785 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 665 | 10 | 4 | 7 | 6.0 | CCOC(=O)c1cc(NC(=O)NC2(C(=O)NCC3(c4ccccn4)CCCCC3)CCc3[nH]c4ccccc4c3C2)cc(C(=O)OCC)c1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL105069 | 11785 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 665 | 10 | 4 | 7 | 6.0 | CCOC(=O)c1cc(NC(=O)NC2(C(=O)NCC3(c4ccccn4)CCCCC3)CCc3[nH]c4ccccc4c3C2)cc(C(=O)OCC)c1 | 10.1016/j.bmcl.2004.04.045 | |||
44333537 | 118354 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 689 | 9 | 4 | 4 | 8.8 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cccc(OC(F)(F)F)c3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL328166 | 118354 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 689 | 9 | 4 | 4 | 8.8 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cccc(OC(F)(F)F)c3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
134133036 | 151318 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1586 | 51 | 23 | 23 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
CHEMBL3907272 | 151318 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1586 | 51 | 23 | 23 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
11434815 | 103711 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1285 | 44 | 17 | 17 | -2.2 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | |||
CHEMBL266079 | 103711 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1285 | 44 | 17 | 17 | -2.2 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | |||
134135229 | 151000 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1558 | 51 | 21 | 23 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
CHEMBL3904512 | 151000 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1558 | 51 | 21 | 23 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
87217489 | 151734 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1516 | 41 | 17 | 21 | -3.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(C)c1)C(C)C)C(N)=O | nan | |||
CHEMBL3910471 | 151734 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1516 | 41 | 17 | 21 | -3.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(C)c1)C(C)C)C(N)=O | nan | |||
87217658 | 160103 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1754 | 44 | 17 | 22 | -0.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)C(C)C)C(N)=O | nan | |||
CHEMBL3978233 | 160103 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1754 | 44 | 17 | 22 | -0.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)C(C)C)C(N)=O | nan | |||
87217674 | 154814 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1465 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3934601 | 154814 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1465 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | |||
117745216 | 149793 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1517 | 42 | 18 | 22 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NNC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
CHEMBL3894747 | 149793 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1517 | 42 | 18 | 22 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NNC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
134153217 | 159211 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1457 | 46 | 19 | 21 | -6.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
CHEMBL3970735 | 159211 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1457 | 46 | 19 | 21 | -6.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
45269883 | 202320 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 378 | 2 | 2 | 4 | 5.9 | CSc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC(C)(C)C2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL554477 | 202320 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 378 | 2 | 2 | 4 | 5.9 | CSc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC(C)(C)C2 | 10.1016/j.bmcl.2009.05.124 | |||
45270721 | 202204 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 462 | 3 | 2 | 4 | 6.8 | COc1ccc(C2CC(=O)C3=C(C2)Nc2ccc(C)cc2NC3c2c(F)cccc2Cl)cc1 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL552257 | 202204 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 462 | 3 | 2 | 4 | 6.8 | COc1ccc(C2CC(=O)C3=C(C2)Nc2ccc(C)cc2NC3c2c(F)cccc2Cl)cc1 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL3894546 | 219204 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||||
44333806 | 11360 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 683 | 8 | 4 | 3 | 8.6 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cc(Br)ccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL102647 | 11360 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 683 | 8 | 4 | 3 | 8.6 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cc(Br)ccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
45269877 | 202650 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 400 | 2 | 2 | 4 | 5.7 | COc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL558803 | 202650 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 400 | 2 | 2 | 4 | 5.7 | COc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
44334154 | 11864 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 563 | 7 | 4 | 4 | 5.8 | CC(=O)c1cccc(NC(=O)NC2(C(=O)NCC3(c4ccccn4)CCCCC3)CCc3[nH]c4ccccc4c3C2)c1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL105543 | 11864 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 563 | 7 | 4 | 4 | 5.8 | CC(=O)c1cccc(NC(=O)NC2(C(=O)NCC3(c4ccccn4)CCCCC3)CCc3[nH]c4ccccc4c3C2)c1 | 10.1016/j.bmcl.2004.04.045 | |||
134147351 | 156355 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1558 | 51 | 21 | 23 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
CHEMBL3946856 | 156355 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1558 | 51 | 21 | 23 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
45269049 | 203187 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 392 | 1 | 2 | 3 | 6.4 | Cc1ccc2c(c1)NC(c1ccccc1Cl)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL562834 | 203187 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 392 | 1 | 2 | 3 | 6.4 | Cc1ccc2c(c1)NC(c1ccccc1Cl)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
44333515 | 11517 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL103756 | 11517 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
45267305 | 202858 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 404 | 2 | 2 | 4 | 6.5 | CSc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC1(CCCC1)C2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL560655 | 202858 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 404 | 2 | 2 | 4 | 6.5 | CSc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC1(CCCC1)C2 | 10.1016/j.bmcl.2009.05.124 | |||
45269034 | 203292 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 400 | 1 | 2 | 3 | 6.2 | Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL563531 | 203292 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 400 | 1 | 2 | 3 | 6.2 | Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
45272445 | 201942 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 368 | 1 | 2 | 3 | 5.5 | Cc1ccc2c(c1)NC(c1c(F)cccc1F)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL550367 | 201942 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 368 | 1 | 2 | 3 | 5.5 | Cc1ccc2c(c1)NC(c1c(F)cccc1F)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
45269043 | 203111 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 410 | 1 | 2 | 3 | 6.5 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL562376 | 203111 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 410 | 1 | 2 | 3 | 6.5 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
2876782 | 203392 | 13 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 366 | 1 | 2 | 3 | 5.9 | Cc1ccc2c(c1)NC(c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL564151 | 203392 | 13 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 366 | 1 | 2 | 3 | 5.9 | Cc1ccc2c(c1)NC(c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
44333515 | 11517 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL103756 | 11517 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 635 | 9 | 4 | 4 | 7.9 | COc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
10124999 | 160210 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1467 | 45 | 16 | 20 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3979188 | 160210 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1467 | 45 | 16 | 20 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
87237371 | 155715 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1772 | 44 | 19 | 23 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C[C@H]1C[C@H]3O)C(C)C)C(N)=O | nan | |||
CHEMBL3941920 | 155715 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1772 | 44 | 19 | 23 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C[C@H]1C[C@H]3O)C(C)C)C(N)=O | nan | |||
CHEMBL3967904 | 219278 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]1CCCN1)C(C)C)C(N)=O | nan | |||||
117745207 | 150846 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1494 | 40 | 16 | 21 | -4.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3903246 | 150846 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1494 | 40 | 16 | 21 | -4.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | |||
87217686 | 158260 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1756 | 44 | 18 | 22 | -0.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)C(C)C)C(N)=O | nan | |||
CHEMBL3962308 | 158260 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1756 | 44 | 18 | 22 | -0.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)C(C)C)C(N)=O | nan | |||
44250209 | 203266 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 426 | 1 | 2 | 3 | 6.8 | Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL563374 | 203266 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 426 | 1 | 2 | 3 | 6.8 | Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
3622597 | 202194 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 384 | 1 | 2 | 3 | 6.0 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL552189 | 202194 | 14 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 384 | 1 | 2 | 3 | 6.0 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
45273328 | 203178 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 422 | 2 | 2 | 4 | 6.4 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(c3ccco3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL562770 | 203178 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 422 | 2 | 2 | 4 | 6.4 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(c3ccco3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
44334155 | 11962 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 605 | 7 | 4 | 4 | 6.5 | O=C(Nc1ccc(OC(F)(F)F)cc1)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL106065 | 11962 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 605 | 7 | 4 | 4 | 6.5 | O=C(Nc1ccc(OC(F)(F)F)cc1)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
44334117 | 114272 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 605 | 8 | 4 | 3 | 7.9 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL318548 | 114272 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 605 | 8 | 4 | 3 | 7.9 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
134143221 | 152263 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1603 | 54 | 20 | 24 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
CHEMBL3914573 | 152263 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1603 | 54 | 20 | 24 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
44333815 | 166006 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 563 | 8 | 4 | 3 | 6.7 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL409885 | 166006 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 563 | 8 | 4 | 3 | 6.7 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
5311352 | 9807 | 8 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/j.bmcl.2004.04.045 | |||
620 | 9807 | 8 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL86828 | 9807 | 8 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/j.bmcl.2004.04.045 | |||
44333512 | 11467 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 673 | 8 | 4 | 3 | 8.9 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cccc(C(F)(F)F)c3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL103430 | 11467 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 673 | 8 | 4 | 3 | 8.9 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cccc(C(F)(F)F)c3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
45273296 | 203409 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 1 | 2 | 3 | 6.7 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(F)(F)F)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL564278 | 203409 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 1 | 2 | 3 | 6.7 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(F)(F)F)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
44334136 | 11802 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 6 | 4 | 3 | 5.4 | O=C(NC1CCCCC1)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL105154 | 11802 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 6 | 4 | 3 | 5.4 | O=C(NC1CCCCC1)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
44317781 | 212486 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 565 | 8 | 4 | 3 | 7.0 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC(C)(C)c2ccccn2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL82410 | 212486 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 565 | 8 | 4 | 3 | 7.0 | CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C(=O)NCC(C)(C)c2ccccn2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
45272451 | 201969 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 370 | 1 | 2 | 3 | 5.6 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL550558 | 201969 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 370 | 1 | 2 | 3 | 5.6 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
134137917 | 154549 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1411 | 41 | 16 | 20 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3932563 | 154549 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1411 | 41 | 16 | 20 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
45272456 | 201972 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 444 | 1 | 2 | 3 | 6.9 | Cc1ccc2c(c1)NC(c1c(F)cccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL550567 | 201972 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 444 | 1 | 2 | 3 | 6.9 | Cc1ccc2c(c1)NC(c1c(F)cccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
45271543 | 202151 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 475 | 3 | 2 | 4 | 6.8 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(c3ccc(N(C)C)cc3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL551917 | 202151 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 475 | 3 | 2 | 4 | 6.8 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(c3ccc(N(C)C)cc3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
44334156 | 115022 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 6 | 4 | 3 | 6.2 | Cc1cccc(C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL319705 | 115022 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 6 | 4 | 3 | 6.2 | Cc1cccc(C)c1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
45269039 | 203056 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 377 | 2 | 2 | 5 | 5.1 | Cc1ccc2c(c1)NC(c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL561979 | 203056 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 377 | 2 | 2 | 5 | 5.1 | Cc1ccc2c(c1)NC(c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
134139924 | 153371 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1599 | 54 | 21 | 23 | -5.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
CHEMBL3923123 | 153371 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1599 | 54 | 21 | 23 | -5.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
87217835 | 156955 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1459 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
CHEMBL3951758 | 156955 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1459 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | |||
134146430 | 156013 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1600 | 53 | 21 | 23 | -6.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
CHEMBL3944228 | 156013 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1600 | 53 | 21 | 23 | -6.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
44334387 | 11469 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 580 | 7 | 4 | 5 | 5.8 | Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL103439 | 11469 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 580 | 7 | 4 | 5 | 5.8 | Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
45273329 | 202551 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 2 | 2 | 4 | 7.4 | Cc1ccc2c(c1)NC(c1ccccc1SC(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL557707 | 202551 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 2 | 2 | 4 | 7.4 | Cc1ccc2c(c1)NC(c1ccccc1SC(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL3982672 | 219300 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||||
44333532 | 11114 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 619 | 8 | 4 | 3 | 8.2 | Cc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL101026 | 11114 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 619 | 8 | 4 | 3 | 8.2 | Cc1cccc2[nH]c3c(c12)CC(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
2883854 | 202990 | 11 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 332 | 1 | 2 | 3 | 5.2 | Cc1ccc2c(c1)NC(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL561518 | 202990 | 11 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 332 | 1 | 2 | 3 | 5.2 | Cc1ccc2c(c1)NC(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
134157363 | 160652 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1400 | 44 | 18 | 20 | -6.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
CHEMBL3982939 | 160652 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1400 | 44 | 18 | 20 | -6.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | |||
44333533 | 10944 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 633 | 8 | 4 | 3 | 8.7 | Cc1ccc2[nH]c3c(c2c1)C(C)C(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL100065 | 10944 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 633 | 8 | 4 | 3 | 8.7 | Cc1ccc2[nH]c3c(c2c1)C(C)C(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
25025860 | 7357 | 32 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 333 | 7 | 1 | 2 | 5.2 | CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C | 10.1016/j.bmcl.2010.02.076 | |||
6188 | 7357 | 32 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 333 | 7 | 1 | 2 | 5.2 | CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C | 10.1016/j.bmcl.2010.02.076 | |||
CHEMBL1091720 | 7357 | 32 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 333 | 7 | 1 | 2 | 5.2 | CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C | 10.1016/j.bmcl.2010.02.076 | |||
CHEMBL3901298 | 219218 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(N)=O | nan | |||||
CHEMBL3929807 | 219240 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||||
44333533 | 10944 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 633 | 8 | 4 | 3 | 8.7 | Cc1ccc2[nH]c3c(c2c1)C(C)C(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL100065 | 10944 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 633 | 8 | 4 | 3 | 8.7 | Cc1ccc2[nH]c3c(c2c1)C(C)C(NC(=O)Nc1c(C(C)C)cccc1C(C)C)(C(=O)NCC1(c2ccccn2)CCCCC1)CC3 | 10.1016/j.bmcl.2004.04.045 | |||
44334388 | 11470 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 566 | 7 | 4 | 5 | 5.5 | O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL103440 | 11470 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 566 | 7 | 4 | 5 | 5.5 | O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
45273322 | 203328 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 398 | 2 | 2 | 3 | 6.3 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C(C)C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL563752 | 203328 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 398 | 2 | 2 | 3 | 6.3 | Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C(C)C)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
4078100 | 203399 | 11 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 404 | 1 | 2 | 3 | 6.4 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL564193 | 203399 | 11 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 404 | 1 | 2 | 3 | 6.4 | CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1NC2c1c(F)cccc1Cl | 10.1016/j.bmcl.2009.05.124 | |||
44333754 | 11886 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 551 | 7 | 4 | 4 | 5.6 | COc1ccccc1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
CHEMBL105627 | 11886 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 551 | 7 | 4 | 4 | 5.6 | COc1ccccc1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 | 10.1016/j.bmcl.2004.04.045 | |||
134144355 | 157271 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1774 | 47 | 17 | 22 | -0.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
CHEMBL3954412 | 157271 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1774 | 47 | 17 | 22 | -0.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | |||
134137019 | 149451 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1518 | 41 | 18 | 22 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(O)c1)C(C)C)C(N)=O | nan | |||
CHEMBL3891981 | 149451 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1518 | 41 | 18 | 22 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(O)c1)C(C)C)C(N)=O | nan | |||
44250209 | 203266 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 426 | 1 | 2 | 3 | 6.8 | Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
CHEMBL563374 | 203266 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 426 | 1 | 2 | 3 | 6.8 | Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 | 10.1016/j.bmcl.2009.05.124 | |||
44301562 | 206279 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 494 | 10 | 4 | 3 | 4.9 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL59187 | 206279 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 494 | 10 | 4 | 3 | 4.9 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
44322391 | 113837 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 502 | 9 | 4 | 2 | 6.8 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL315660 | 113837 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 502 | 9 | 4 | 2 | 6.8 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
21255272 | 213406 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 516 | 9 | 4 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL89153 | 213406 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 516 | 9 | 4 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
57402754 | 74532 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 8 | 4 | 2 | 7.7 | CC(C)c1cccc(C(C)C)c1NC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCc2ccccc21 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL1907865 | 74532 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 8 | 4 | 2 | 7.7 | CC(C)c1cccc(C(C)C)c1NC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCc2ccccc21 | 10.1016/0960-894X(96)00481-7 | |||
101835328 | 7491 | 41 | None | -7 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | |||||
16133800 | 7491 | 41 | None | -7 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | |||||
16201612 | 7491 | 41 | None | -7 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | |||||
616 | 7491 | 41 | None | -7 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | |||||
91898967 | 7491 | 41 | None | -7 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | |||||
CHEMBL437027 | 7491 | 41 | None | -7 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | |||||
DB11724 | 7491 | 41 | None | -7 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | |||||
CHEMBL269432 | 217567 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1016/0960-894X(96)00481-7 | |||||
44322247 | 213252 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 9 | 3 | 2 | 6.9 | CC(C)c1cccc(C(C)C)c1N(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL88174 | 213252 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 9 | 3 | 2 | 6.9 | CC(C)c1cccc(C(C)C)c1N(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
10432902 | 107399 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 9 | 4 | 4 | 3.1 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL291924 | 107399 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 9 | 4 | 4 | 3.1 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
44301871 | 107524 | 5 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 441 | 9 | 3 | 3 | 4.4 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL292766 | 107524 | 5 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 441 | 9 | 3 | 3 | 4.4 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | |||
44301546 | 107400 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 9 | 4 | 4 | 3.1 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL291925 | 107400 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 431 | 9 | 4 | 4 | 3.1 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
44301784 | 207635 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 460 | 10 | 4 | 3 | 4.7 | CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL60125 | 207635 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 460 | 10 | 4 | 3 | 4.7 | CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
40875375 | 206828 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 9 | 4 | 3 | 4.8 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL59561 | 206828 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 9 | 4 | 3 | 4.8 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | |||
21255275 | 213083 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 502 | 8 | 4 | 2 | 7.0 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL87090 | 213083 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 502 | 8 | 4 | 2 | 7.0 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
44322304 | 213490 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 550 | 8 | 4 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCc2ccccc2C1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL89795 | 213490 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 550 | 8 | 4 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCc2ccccc2C1 | 10.1016/0960-894X(96)00481-7 | |||
44301769 | 206101 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 9 | 4 | 3 | 4.3 | CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL59055 | 206101 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 9 | 4 | 3 | 4.3 | CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
10484081 | 107418 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 625 | 12 | 3 | 5 | 6.8 | CC(C)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL292119 | 107418 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 625 | 12 | 3 | 5 | 6.8 | CC(C)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 | 10.1016/S0960-894X(97)00346-6 | |||
44322245 | 112761 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 434 | 7 | 4 | 2 | 5.3 | CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)Nc1c(C(C)C)cccc1C(C)C | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL313114 | 112761 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 434 | 7 | 4 | 2 | 5.3 | CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)Nc1c(C(C)C)cccc1C(C)C | 10.1016/0960-894X(96)00481-7 | |||
44301371 | 107738 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 470 | 9 | 5 | 4 | 3.6 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL294165 | 107738 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 470 | 9 | 5 | 4 | 3.6 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
44301825 | 107593 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 397 | 9 | 4 | 4 | 2.9 | CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL293240 | 107593 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 397 | 9 | 4 | 4 | 2.9 | CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
10000877 | 108384 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 397 | 9 | 4 | 4 | 2.9 | CC(C)CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL298816 | 108384 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 397 | 9 | 4 | 4 | 2.9 | CC(C)CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1c[nH]cn1 | 10.1016/S0960-894X(97)00346-6 | |||
44322461 | 162648 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 610 | 9 | 4 | 4 | 7.5 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1COC(C)(C)OC1c1ccccc1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL406037 | 162648 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 610 | 9 | 4 | 4 | 7.5 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1COC(C)(C)OC1c1ccccc1 | 10.1016/0960-894X(96)00481-7 | |||
44301870 | 209469 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 9 | 3 | 3 | 3.8 | CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL61615 | 209469 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 9 | 3 | 3 | 3.8 | CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | |||
44322341 | 112714 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 516 | 9 | 4 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL312851 | 112714 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 516 | 9 | 4 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
44322126 | 112968 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 524 | 10 | 4 | 2 | 6.9 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL313829 | 112968 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 524 | 10 | 4 | 2 | 6.9 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1016/0960-894X(96)00481-7 | |||
44302017 | 206110 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 446 | 9 | 4 | 3 | 4.3 | CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL59060 | 206110 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 446 | 9 | 4 | 3 | 4.3 | CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
21255273 | 118366 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 516 | 9 | 3 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL328230 | 118366 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 516 | 9 | 3 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
44301554 | 209208 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 484 | 10 | 5 | 4 | 3.6 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]cn1)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL61098 | 209208 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 484 | 10 | 5 | 4 | 3.6 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]cn1)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
5311352 | 9807 | 8 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/0960-894X(96)00481-7 | |||
620 | 9807 | 8 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL86828 | 9807 | 8 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/0960-894X(96)00481-7 | |||
5311352 | 9807 | 8 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/0960-894X(96)00481-7 | |||
620 | 9807 | 8 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL86828 | 9807 | 8 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | 10.1016/0960-894X(96)00481-7 | |||
40652201 | 205870 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 9 | 3 | 3 | 4.2 | CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL58852 | 205870 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 9 | 3 | 3 | 4.2 | CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 | 10.1016/S0960-894X(97)00346-6 | |||
44322460 | 213928 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 534 | 8 | 4 | 4 | 5.8 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1COC(C)(C)OC1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL92274 | 213928 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 534 | 8 | 4 | 4 | 5.8 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1COC(C)(C)OC1 | 10.1016/0960-894X(96)00481-7 | |||
44322303 | 119155 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 592 | 10 | 4 | 2 | 8.6 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL329561 | 119155 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 592 | 10 | 4 | 2 | 8.6 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
21255282 | 113862 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 550 | 8 | 4 | 2 | 7.7 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCc2ccccc21 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL315859 | 113862 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 550 | 8 | 4 | 2 | 7.7 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCc2ccccc21 | 10.1016/0960-894X(96)00481-7 | |||
57391433 | 74466 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 578 | 9 | 4 | 2 | 8.4 | CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1c1ccccc1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL1907682 | 74466 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 578 | 9 | 4 | 2 | 8.4 | CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1c1ccccc1 | 10.1016/0960-894X(96)00481-7 | |||
21255267 | 118426 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 516 | 9 | 3 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL328591 | 118426 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 516 | 9 | 3 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | |||
44301939 | 207723 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 475 | 12 | 5 | 4 | 3.8 | NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL60176 | 207723 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 475 | 12 | 5 | 4 | 3.8 | NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL525577 | 222432 | 0 | None | -24 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O | 10.1016/j.bmcl.2008.09.033 | |||||
44301811 | 108780 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 461 | 11 | 5 | 4 | 3.4 | NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL301636 | 108780 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 461 | 11 | 5 | 4 | 3.4 | NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
44322273 | 213397 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 610 | 9 | 4 | 4 | 7.5 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1COC(C)(C)OC1c1ccccc1 | 10.1016/0960-894X(96)00481-7 | |||
CHEMBL89075 | 213397 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 610 | 9 | 4 | 4 | 7.5 | CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1COC(C)(C)OC1c1ccccc1 | 10.1016/0960-894X(96)00481-7 | |||
44301807 | 169987 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 533 | 10 | 5 | 3 | 5.4 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
CHEMBL418299 | 169987 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 533 | 10 | 5 | 3 | 5.4 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCCc1c[nH]c2ccccc12 | 10.1016/S0960-894X(97)00346-6 | |||
5311352 | 9807 | 8 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | None | |||
620 | 9807 | 8 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | None | |||
CHEMBL86828 | 9807 | 8 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 593 | 10 | 4 | 3 | 8.0 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C | None | |||
5281668 | 8983 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 760 | 9 | 8 | 11 | 8.8 | CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C | 7646517 | |||
622 | 8983 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 760 | 9 | 8 | 11 | 8.8 | CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C | 7646517 | |||
CHEMBL506234 | 8983 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 760 | 9 | 8 | 11 | 8.8 | CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C | 7646517 | |||
155817488 | 10100 | 0 | None | -14 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
155817488 | 10100 | 0 | None | -14 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
57340152 | 10100 | 0 | None | -14 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
57340152 | 10100 | 0 | None | -14 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
6165 | 10100 | 0 | None | -14 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
6165 | 10100 | 0 | None | -14 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
612 | 8556 | 0 | None | -288 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
612 | 8556 | 0 | None | -288 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
612 | 8556 | 0 | None | -288 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
612 | 8556 | 0 | None | -288 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
CHEMBL413196 | 8556 | 0 | None | -288 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
CHEMBL413196 | 8556 | 0 | None | -288 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
CHEMBL413196 | 8556 | 0 | None | -288 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
CHEMBL413196 | 8556 | 0 | None | -288 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
635 | 8232 | 0 | None | 1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
155817489 | 9889 | 0 | None | 5 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
155817489 | 9889 | 0 | None | 5 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
6166 | 9889 | 0 | None | 5 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
6166 | 9889 | 0 | None | 5 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
615 | 9876 | 0 | None | -58 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
615 | 9876 | 0 | None | -58 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
615 | 9876 | 0 | None | -58 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
101835328 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
101835328 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
16133800 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
16133800 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
16201612 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
16201612 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
616 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
616 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
91898967 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
91898967 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
CHEMBL437027 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
CHEMBL437027 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
DB11724 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
DB11724 | 7491 | 41 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
101835328 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
101835328 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
16133800 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
16133800 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
16201612 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
16201612 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
616 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
616 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
91898967 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
91898967 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
CHEMBL437027 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
CHEMBL437027 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
DB11724 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
DB11724 | 7491 | 41 | None | -24 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | |||||
22146595 | 10063 | 0 | None | -6 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
22146595 | 10063 | 0 | None | -6 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
618 | 10063 | 0 | None | -6 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
618 | 10063 | 0 | None | -6 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
14235547 | 9109 | 0 | None | -1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
14235547 | 9109 | 0 | None | -1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
617 | 9109 | 0 | None | -1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
617 | 9109 | 0 | None | -1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
632 | 8260 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | |||||
632 | 8260 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 21729729 | |||||
4345957 | 9544 | 0 | None | 89 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 18055507 | |||||
4345957 | 9544 | 0 | None | 89 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 21729729 | |||||
4345957 | 9544 | 0 | None | 89 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 25976083 | |||||
613 | 9544 | 0 | None | 89 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 18055507 | |||||
613 | 9544 | 0 | None | 89 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 21729729 | |||||
613 | 9544 | 0 | None | 89 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 25976083 | |||||
155817490 | 9087 | 0 | None | -23 | 2 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
155817490 | 9087 | 0 | None | -23 | 2 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | |||||
6168 | 9087 | 0 | None | -23 | 2 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | |||||
6168 | 9087 | 0 | None | -23 | 2 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 |